N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C18H29N3O3S — CID 119475722

IUPACN-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NC2CCC(N)CC2)c(C)c1
InChIInChI=1S/C18H29N3O3S/c1-12-10-13(2)18(14(3)11-12)25(23,24)20-9-8-17(22)21-16-6-4-15(19)5-7-16/h10-11,15-16,20H,4-9,19H2,1-3H3,(H,21,22)
InChIKeyVIMZREDCBIGJKX-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.67
Rot. Bonds6

About N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 119475722) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID119475722
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NC2CCC(N)CC2)c(C)c1
InChIInChI=1S/C18H29N3O3S/c1-12-10-13(2)18(14(3)11-12)25(23,24)20-9-8-17(22)21-16-6-4-15(19)5-7-16/h10-11,15-16,20H,4-9,19H2,1-3H3,(H,21,22)
InChIKeyVIMZREDCBIGJKX-UHFFFAOYSA-N
XLogP1.67
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 119373971
3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79385378
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79379980
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 52665329
N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119522413
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119573316
N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119461187
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119370391
N-(4-aminocyclohexyl)-3-(methylamino)propanamide
CID 62319076

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 119475722) is N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC2CCC(N)CC2)c(C)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is VIMZREDCBIGJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-12-10-13(2)18(14(3)11-12)25(23,24)20-9-8-17(22)21-16-6-4-15(19)5-7-16/h10-11,15-16,20H,4-9,19H2,1-3H3,(H,21,22).
What are the key properties of N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 367.52 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 119475722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).