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

C22H29N3O5S2 — CID 20963022

IUPAC2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc21
InChIInChI=1S/C22H29N3O5S2/c1-4-14-31(27,28)25-13-5-6-17-7-8-19(15-21(17)25)24-32(29,30)20-11-9-18(10-12-20)23-22(26)16(2)3/h7-12,15-16,24H,4-6,13-14H2,1-3H3,(H,23,26)
InChIKeyMUMHSQFTJHYRFQ-UHFFFAOYSA-N
MW479.62 g/mol
LogP3.57
Rot. Bonds8

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

2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide (PubChem CID 20963022) has the molecular formula C22H29N3O5S2 and a molecular weight of 479.62 g/mol. Its IUPAC name is 2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
PubChem CID20963022
Molecular FormulaC22H29N3O5S2
Molecular Weight479.62 g/mol
Exact Mass479.15
IUPAC Name2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc21
InChIInChI=1S/C22H29N3O5S2/c1-4-14-31(27,28)25-13-5-6-17-7-8-19(15-21(17)25)24-32(29,30)20-11-9-18(10-12-20)23-22(26)16(2)3/h7-12,15-16,24H,4-6,13-14H2,1-3H3,(H,23,26)
InChIKeyMUMHSQFTJHYRFQ-UHFFFAOYSA-N
XLogP3.57
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide
CID 27656182
N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
CID 16835489
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751
4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
4-ethyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963035
5-chloro-2-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448604
2-(4-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
CID 16835427
2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide (CID 20963022) is 2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide is CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc21.
What is the InChIKey of 2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is MUMHSQFTJHYRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S2/c1-4-14-31(27,28)25-13-5-6-17-7-8-19(15-21(17)25)24-32(29,30)20-11-9-18(10-12-20)23-22(26)16(2)3/h7-12,15-16,24H,4-6,13-14H2,1-3H3,(H,23,26).
What are the key properties of 2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide?
2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 479.62 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 20963022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).