N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide

C19H27N3O4S — CID 9084473

IUPACN-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H27N3O4S/c1-14-5-2-3-6-17(14)21-18(23)13-20-27(25,26)16-10-8-15(9-11-16)22-12-4-7-19(22)24/h8-11,14,17,20H,2-7,12-13H2,1H3,(H,21,23)/t14-,17+/m0/s1
InChIKeyHIQVLARUGGAZPL-WMLDXEAASA-N
MW393.51 g/mol
LogP1.79
Rot. Bonds6

About N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide

N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide (PubChem CID 9084473) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
PubChem CID9084473
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H27N3O4S/c1-14-5-2-3-6-17(14)21-18(23)13-20-27(25,26)16-10-8-15(9-11-16)22-12-4-7-19(22)24/h8-11,14,17,20H,2-7,12-13H2,1H3,(H,21,23)/t14-,17+/m0/s1
InChIKeyHIQVLARUGGAZPL-WMLDXEAASA-N
XLogP1.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide with MolForge

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Related Compounds

N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
CID 124788623
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40794777
N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
CID 9180389
4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144
N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92685610
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 112502519
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 11902522
3-[(4-bromophenyl)sulfonylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9403540
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 15992422

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide (CID 9084473) is N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide is C[C@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide?
The InChIKey is HIQVLARUGGAZPL-WMLDXEAASA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-5-2-3-6-17(14)21-18(23)13-20-27(25,26)16-10-8-15(9-11-16)22-12-4-7-19(22)24/h8-11,14,17,20H,2-7,12-13H2,1H3,(H,21,23)/t14-,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide?
N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide has a molecular weight of 393.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 9084473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).