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

C21H27N3O5S2 — CID 16835489

IUPACN-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc21
InChIInChI=1S/C21H27N3O5S2/c1-4-12-30(26,27)24-11-5-6-17-7-8-19(14-20(17)24)23-31(28,29)21-10-9-18(13-15(21)2)22-16(3)25/h7-10,13-14,23H,4-6,11-12H2,1-3H3,(H,22,25)
InChIKeySHTLNILOQJKKFH-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.25
Rot. Bonds7

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

N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide (PubChem CID 16835489) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
PubChem CID16835489
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC NameN-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc21
InChIInChI=1S/C21H27N3O5S2/c1-4-12-30(26,27)24-11-5-6-17-7-8-19(14-20(17)24)23-31(28,29)21-10-9-18(13-15(21)2)22-16(3)25/h7-10,13-14,23H,4-6,11-12H2,1-3H3,(H,22,25)
InChIKeySHTLNILOQJKKFH-UHFFFAOYSA-N
XLogP3.25
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448604
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751
2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 20963022
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 20963067
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
2-(4-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 20963062
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
CID 27656188
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27368931
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
CID 16835427
4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide
CID 43990641

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide (CID 16835489) is N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide is CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc21.
What is the InChIKey of N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is SHTLNILOQJKKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-4-12-30(26,27)24-11-5-6-17-7-8-19(14-20(17)24)23-31(28,29)21-10-9-18(13-15(21)2)22-16(3)25/h7-10,13-14,23H,4-6,11-12H2,1-3H3,(H,22,25).
What are the key properties of N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide?
N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 465.60 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16835489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).