N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide

C19H25N3O4S — CID 46275051

IUPACN-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
SMILESCC1CCCCC1NC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C19H25N3O4S/c1-13-4-2-3-5-16(13)21-19(24)10-11-20-27(25,26)15-7-8-17-14(12-15)6-9-18(23)22-17/h6-9,12-13,16,20H,2-5,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyRBSFYSMVDFLFHJ-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.89
Rot. Bonds6

About N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide

N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide (PubChem CID 46275051) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
PubChem CID46275051
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
SMILESCC1CCCCC1NC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C19H25N3O4S/c1-13-4-2-3-5-16(13)21-19(24)10-11-20-27(25,26)15-7-8-17-14(12-15)6-9-18(23)22-17/h6-9,12-13,16,20H,2-5,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyRBSFYSMVDFLFHJ-UHFFFAOYSA-N
XLogP1.89
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275014
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 15992422
3-[(4-bromophenyl)sulfonylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9403540
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 46275060
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 18159331
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 11919981
3-[(4-methoxy-3-nitrophenyl)sulfonylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9265727
N-(2-fluorophenyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275018
N-(3-fluorophenyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 126459076
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602500
2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide
CID 22548573
N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
CID 55913304

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide (CID 46275051) is N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide is CC1CCCCC1NC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide?
The InChIKey is RBSFYSMVDFLFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13-4-2-3-5-16(13)21-19(24)10-11-20-27(25,26)15-7-8-17-14(12-15)6-9-18(23)22-17/h6-9,12-13,16,20H,2-5,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide?
N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide has a molecular weight of 391.49 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide is sourced from PubChem (CID 46275051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).