N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide

C19H25N3O4S — CID 20903521

IUPACN-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide
SMILESCC1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C19H25N3O4S/c1-13-3-6-15(7-4-13)20-19(24)12-22(2)27(25,26)16-8-9-17-14(11-16)5-10-18(23)21-17/h5,8-11,13,15H,3-4,6-7,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyUWCUKSIAYAIUTB-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.84
Rot. Bonds5

About N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide

N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide (PubChem CID 20903521) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide
PubChem CID20903521
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide
SMILESCC1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C19H25N3O4S/c1-13-3-6-15(7-4-13)20-19(24)12-22(2)27(25,26)16-8-9-17-14(11-16)5-10-18(23)21-17/h5,8-11,13,15H,3-4,6-7,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyUWCUKSIAYAIUTB-UHFFFAOYSA-N
XLogP1.84
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20903526
2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 20903544
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-cyclohexyl-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275014
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
CID 28536702
N-cycloheptyl-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]acetamide
CID 20927802

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide (CID 20903521) is N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide is CC1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The InChIKey is UWCUKSIAYAIUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13-3-6-15(7-4-13)20-19(24)12-22(2)27(25,26)16-8-9-17-14(11-16)5-10-18(23)21-17/h5,8-11,13,15H,3-4,6-7,12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide has a molecular weight of 391.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 20903521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).