N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide

C18H29N3O3S — CID 70938922

IUPACN-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC2CCC(NS(=O)(=O)C(C)C)CC2)c1
InChIInChI=1S/C18H29N3O3S/c1-13(2)25(23,24)21-16-9-7-15(8-10-16)12-19-17-5-4-6-18(11-17)20-14(3)22/h4-6,11,13,15-16,19,21H,7-10,12H2,1-3H3,(H,20,22)
InChIKeyVWSKWVLONDJGNH-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.94
Rot. Bonds7

About N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide

N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide (PubChem CID 70938922) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide
PubChem CID70938922
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC2CCC(NS(=O)(=O)C(C)C)CC2)c1
InChIInChI=1S/C18H29N3O3S/c1-13(2)25(23,24)21-16-9-7-15(8-10-16)12-19-17-5-4-6-18(11-17)20-14(3)22/h4-6,11,13,15-16,19,21H,7-10,12H2,1-3H3,(H,20,22)
InChIKeyVWSKWVLONDJGNH-UHFFFAOYSA-N
XLogP2.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 118376558
N-[4-[[4-(2,5-dihydropyrrol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230320
N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938861
N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230354
N-[4-[[3-fluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230303
N-[4-[(1H-indazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939655
N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 59230270
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939329
N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide
CID 70938968
N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939085
N-[3-(1-cyclopropylpropan-2-ylamino)phenyl]acetamide
CID 115916889

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide (CID 70938922) is N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCC2CCC(NS(=O)(=O)C(C)C)CC2)c1.
What is the InChIKey of N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide?
The InChIKey is VWSKWVLONDJGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-13(2)25(23,24)21-16-9-7-15(8-10-16)12-19-17-5-4-6-18(11-17)20-14(3)22/h4-6,11,13,15-16,19,21H,7-10,12H2,1-3H3,(H,20,22).
What are the key properties of N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide?
N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide has a molecular weight of 367.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 70938922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).