N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide

C20H29N3O4S — CID 20862480

IUPACN-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
SMILESCC1CCCC(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1C
InChIInChI=1S/C20H29N3O4S/c1-13-5-4-6-17(14(13)2)21-20(25)12-23(3)28(26,27)16-8-9-18-15(11-16)7-10-19(24)22-18/h8-9,11,13-14,17H,4-7,10,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyLQRXOZLJWCCMOC-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.13
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide

N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide (PubChem CID 20862480) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
PubChem CID20862480
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
SMILESCC1CCCC(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1C
InChIInChI=1S/C20H29N3O4S/c1-13-5-4-6-17(14(13)2)21-20(25)12-23(3)28(26,27)16-8-9-18-15(11-16)7-10-19(24)22-18/h8-9,11,13-14,17H,4-7,10,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyLQRXOZLJWCCMOC-UHFFFAOYSA-N
XLogP2.13
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide with MolForge

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Related Compounds

2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 122706686
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7419991
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862475
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N,N-bis(2-methylpropyl)acetamide
CID 20862469
N-(4-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282109
N-(3,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282133
N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282108
N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282131
N-[(3-methoxyphenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862474
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 9427774
6-[(2,3-dimethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 64760457
N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282164

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide (CID 20862480) is N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide is CC1CCCC(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The InChIKey is LQRXOZLJWCCMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-13-5-4-6-17(14(13)2)21-20(25)12-23(3)28(26,27)16-8-9-18-15(11-16)7-10-19(24)22-18/h8-9,11,13-14,17H,4-7,10,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide has a molecular weight of 407.54 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 20862480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).