1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide

C19H28N2O3S — CID 126801738

IUPAC1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC1CCCCC1CNC(=O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3S/c1-25(23,24)21-17-10-6-5-9-16(17)14-20-18(22)19(11-12-19)13-15-7-3-2-4-8-15/h2-4,7-8,16-17,21H,5-6,9-14H2,1H3,(H,20,22)
InChIKeyNCICEASHRAZVBZ-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.23
Rot. Bonds7

About 1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide

1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide (PubChem CID 126801738) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
PubChem CID126801738
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC1CCCCC1CNC(=O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3S/c1-25(23,24)21-17-10-6-5-9-16(17)14-20-18(22)19(11-12-19)13-15-7-3-2-4-8-15/h2-4,7-8,16-17,21H,5-6,9-14H2,1H3,(H,20,22)
InChIKeyNCICEASHRAZVBZ-UHFFFAOYSA-N
XLogP2.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]acetamide;hydrochloride
CID 119821585
4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide
CID 120937423
4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120937422
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 120947067
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119821595
trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 154864550
N-[2-[[(2-phenylcyclopropyl)methylamino]methyl]cyclohexyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 154835458
N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide
CID 119629469
2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
CID 96539486
2-indazol-1-yl-N-[[(1R,2R)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
CID 96539483
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119821597
1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea
CID 167932968

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide (CID 126801738) is 1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide is CS(=O)(=O)NC1CCCCC1CNC(=O)C1(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is NCICEASHRAZVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-25(23,24)21-17-10-6-5-9-16(17)14-20-18(22)19(11-12-19)13-15-7-3-2-4-8-15/h2-4,7-8,16-17,21H,5-6,9-14H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide?
1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126801738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).