N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide

C21H26N2O4S — CID 27368896

IUPACN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)CC(C)C)ccc32)cc1
InChIInChI=1S/C21H26N2O4S/c1-15(2)13-21(24)22-17-6-11-20-16(14-17)5-4-12-23(20)28(25,26)19-9-7-18(27-3)8-10-19/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyZJTDCMCBOXCXAR-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.82
Rot. Bonds6

About N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide

N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide (PubChem CID 27368896) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
PubChem CID27368896
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)CC(C)C)ccc32)cc1
InChIInChI=1S/C21H26N2O4S/c1-15(2)13-21(24)22-17-6-11-20-16(14-17)5-4-12-23(20)28(25,26)19-9-7-18(27-3)8-10-19/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyZJTDCMCBOXCXAR-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18565018
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide
CID 43955928
2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27443582
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 27443573
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3,4-dimethylbenzamide
CID 27510027
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]furan-2-carboxamide
CID 27443601
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30374549
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzamide
CID 27537420
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393
2-(4-methoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
CID 27443267
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]cyclopentanecarboxamide
CID 16825810

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide (CID 27368896) is N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide is COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)CC(C)C)ccc32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide?
The InChIKey is ZJTDCMCBOXCXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15(2)13-21(24)22-17-6-11-20-16(14-17)5-4-12-23(20)28(25,26)19-9-7-18(27-3)8-10-19/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide?
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide has a molecular weight of 402.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide is sourced from PubChem (CID 27368896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).