N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide

C21H34N2O3S — CID 59230354

IUPACN-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCc1ccc(NCC2CCC(NS(=O)(=O)C(C)C)CC2)cc1OCC1CC1
InChIInChI=1S/C21H34N2O3S/c1-15(2)27(24,25)23-19-10-7-17(8-11-19)13-22-20-9-4-16(3)21(12-20)26-14-18-5-6-18/h4,9,12,15,17-19,22-23H,5-8,10-11,13-14H2,1-3H3
InChIKeyCMSRMPVYXFJEHS-UHFFFAOYSA-N
MW394.58 g/mol
LogP4.08
Rot. Bonds9

About N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 59230354) has the molecular formula C21H34N2O3S and a molecular weight of 394.58 g/mol. Its IUPAC name is N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID59230354
Molecular FormulaC21H34N2O3S
Molecular Weight394.58 g/mol
Exact Mass394.23
IUPAC NameN-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCc1ccc(NCC2CCC(NS(=O)(=O)C(C)C)CC2)cc1OCC1CC1
InChIInChI=1S/C21H34N2O3S/c1-15(2)27(24,25)23-19-10-7-17(8-11-19)13-22-20-9-4-16(3)21(12-20)26-14-18-5-6-18/h4,9,12,15,17-19,22-23H,5-8,10-11,13-14H2,1-3H3
InChIKeyCMSRMPVYXFJEHS-UHFFFAOYSA-N
XLogP4.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide with MolForge

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Related Compounds

N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 59230270
N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide
CID 70938922
N-[4-[[4-(2,5-dihydropyrrol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230320
N-[4-[(1H-indazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939655
N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939049
N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939329
N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939085
N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938861
N-[4-[[4-(2,6-dimethyloxan-4-yl)oxyanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939123
N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630584
N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 118376558
N-[4-[[3-fluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230303

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide (CID 59230354) is N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide is Cc1ccc(NCC2CCC(NS(=O)(=O)C(C)C)CC2)cc1OCC1CC1.
What is the InChIKey of N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is CMSRMPVYXFJEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3S/c1-15(2)27(24,25)23-19-10-7-17(8-11-19)13-22-20-9-4-16(3)21(12-20)26-14-18-5-6-18/h4,9,12,15,17-19,22-23H,5-8,10-11,13-14H2,1-3H3.
What are the key properties of N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 394.58 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 59230354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).