N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide

C76H114F6N12O12S4 — CID 161009635

IUPACN-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N(C)C)c(F)c2)CC1.CCS(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N3CCCC3)c(F)c2)CC1.CCS(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N(C)C)c2)CC1.CCS(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C20H29F2N3O3S.C20H30FN3O3S.C18H27F2N3O3S.C18H28FN3O3S/c1-2-29(27,28)24-15-7-5-14(6-8-15)13-23-16-11-17(21)19(18(22)12-16)20(26)25-9-3-4-10-25;1-2-28(26,27)23-16-7-5-15(6-8-16)14-22-17-9-10-19(21)18(13-17)20(25)24-11-3-4-12-24;1-4-27(25,26)22-13-7-5-12(6-8-13)11-21-14-9-15(19)17(16(20)10-14)18(24)23(2)3;1-4-26(24,25)21-14-7-5-13(6-8-14)12-20-15-9-10-17(19)16(11-15)18(23)22(2)3/h11-12,14-15,23-24H,2-10,13H2,1H3;9-10,13,15-16,22-23H,2-8,11-12,14H2,1H3;9-10,12-13,21-22H,4-8,11H2,1-3H3;9-11,13-14,20-21H,4-8,12H2,1-3H3
InChIKeyTWYQTHOCPOVDJD-UHFFFAOYSA-N
MW1630.08 g/mol
LogP11.10
Rot. Bonds28

About N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide

N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide (PubChem CID 161009635) has the molecular formula C76H114F6N12O12S4 and a molecular weight of 1630.08 g/mol. Its IUPAC name is N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide
PubChem CID161009635
Molecular FormulaC76H114F6N12O12S4
Molecular Weight1630.08 g/mol
Exact Mass1628.75
IUPAC NameN-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N(C)C)c(F)c2)CC1.CCS(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N3CCCC3)c(F)c2)CC1.CCS(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N(C)C)c2)CC1.CCS(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C20H29F2N3O3S.C20H30FN3O3S.C18H27F2N3O3S.C18H28FN3O3S/c1-2-29(27,28)24-15-7-5-14(6-8-15)13-23-16-11-17(21)19(18(22)12-16)20(26)25-9-3-4-10-25;1-2-28(26,27)23-16-7-5-15(6-8-16)14-22-17-9-10-19(21)18(13-17)20(25)24-11-3-4-12-24;1-4-27(25,26)22-13-7-5-12(6-8-13)11-21-14-9-15(19)17(16(20)10-14)18(24)23(2)3;1-4-26(24,25)21-14-7-5-13(6-8-14)12-20-15-9-10-17(19)16(11-15)18(23)22(2)3/h11-12,14-15,23-24H,2-10,13H2,1H3;9-10,13,15-16,22-23H,2-8,11-12,14H2,1H3;9-10,12-13,21-22H,4-8,11H2,1-3H3;9-11,13-14,20-21H,4-8,12H2,1-3H3
InChIKeyTWYQTHOCPOVDJD-UHFFFAOYSA-N
XLogP11.10
TPSA314.04 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001630.08
LogP ≤ 511.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 158181622
N-[4-[[3-fluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230303
N-[4-[[(2,2,7-trifluoro-1,3-benzodioxol-5-yl)amino]methyl]cyclohexyl]ethanesulfonamide
CID 59231180
3-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-5-fluoro-N,N-dimethylbenzamide
CID 59231268
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 119395232
tert-butyl 3-[(4-chloro-3-fluoroanilino)methyl]piperidine-1-carboxylate
CID 103759201
2-fluoro-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]benzoic acid
CID 166247937
tert-butyl 3-[(3-fluoro-4-nitroanilino)methyl]piperidine-1-carboxylate
CID 113337644
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 55724450

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide (CID 161009635) is N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N(C)C)c(F)c2)CC1.CCS(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N3CCCC3)c(F)c2)CC1.CCS(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N(C)C)c2)CC1.CCS(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N3CCCC3)c2)CC1.
What is the InChIKey of N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide?
The InChIKey is TWYQTHOCPOVDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O3S.C20H30FN3O3S.C18H27F2N3O3S.C18H28FN3O3S/c1-2-29(27,28)24-15-7-5-14(6-8-15)13-23-16-11-17(21)19(18(22)12-16)20(26)25-9-3-4-10-25;1-2-28(26,27)23-16-7-5-15(6-8-16)14-22-17-9-10-19(21)18(13-17)20(25)24-11-3-4-12-24;1-4-27(25,26)22-13-7-5-12(6-8-13)11-21-14-9-15(19)17(16(20)10-14)18(24)23(2)3;1-4-26(24,25)21-14-7-5-13(6-8-14)12-20-15-9-10-17(19)16(11-15)18(23)22(2)3/h11-12,14-15,23-24H,2-10,13H2,1H3;9-10,13,15-16,22-23H,2-8,11-12,14H2,1H3;9-10,12-13,21-22H,4-8,11H2,1-3H3;9-11,13-14,20-21H,4-8,12H2,1-3H3.
What are the key properties of N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide?
N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide has a molecular weight of 1630.08 g/mol, XLogP of 11.10, 28 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 161009635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).