N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide

C19H22N2O4S — CID 110663008

IUPACN-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC(C)C2
InChIInChI=1S/C19H22N2O4S/c1-13-10-15-4-7-17(25-3)11-19(15)21(12-13)26(23,24)18-8-5-16(6-9-18)20-14(2)22/h4-9,11,13H,10,12H2,1-3H3,(H,20,22)
InChIKeyJBSMXGCTZJVXJN-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.04
Rot. Bonds4

About N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide

N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide (PubChem CID 110663008) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide
PubChem CID110663008
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC(C)C2
InChIInChI=1S/C19H22N2O4S/c1-13-10-15-4-7-17(25-3)11-19(15)21(12-13)26(23,24)18-8-5-16(6-9-18)20-14(2)22/h4-9,11,13H,10,12H2,1-3H3,(H,20,22)
InChIKeyJBSMXGCTZJVXJN-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663004
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]cyclopentanecarboxamide
CID 16825810
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110663091
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one
CID 110662965
3-[6-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]propanoic acid
CID 71031157
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 46809551
(4-acetamidophenyl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 8915508

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide (CID 110663008) is N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide is COc1ccc2c(c1)N(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC(C)C2.
What is the InChIKey of N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide?
The InChIKey is JBSMXGCTZJVXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-10-15-4-7-17(25-3)11-19(15)21(12-13)26(23,24)18-8-5-16(6-9-18)20-14(2)22/h4-9,11,13H,10,12H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide?
N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide is sourced from PubChem (CID 110663008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).