3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide

C22H22N2O3S2 — CID 18578077

IUPAC3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2
InChIInChI=1S/C22H22N2O3S2/c25-21(13-10-17-6-2-1-3-7-17)23-19-12-11-18-8-4-14-24(20(18)16-19)29(26,27)22-9-5-15-28-22/h1-3,5-7,9,11-12,15-16H,4,8,10,13-14H2,(H,23,25)
InChIKeyDUMXDNDOHWGJCR-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.46
Rot. Bonds6

About 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide

3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide (PubChem CID 18578077) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
PubChem CID18578077
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC Name3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2
InChIInChI=1S/C22H22N2O3S2/c25-21(13-10-17-6-2-1-3-7-17)23-19-12-11-18-8-4-14-24(20(18)16-19)29(26,27)22-9-5-15-28-22/h1-3,5-7,9,11-12,15-16H,4,8,10,13-14H2,(H,23,25)
InChIKeyDUMXDNDOHWGJCR-UHFFFAOYSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
CID 20962974
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 43990369
2-ethoxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 7586784
2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 20962946
N'-(2-methylphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 16823353
3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 7657771
ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate
CID 30679153
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
2-(4-methoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
CID 27443267
2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide
CID 20962947
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-thiophen-2-ylurea
CID 30372816

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
The IUPAC name of 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide (CID 18578077) is 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide is O=C(CCc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2.
What is the InChIKey of 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
The InChIKey is DUMXDNDOHWGJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c25-21(13-10-17-6-2-1-3-7-17)23-19-12-11-18-8-4-14-24(20(18)16-19)29(26,27)22-9-5-15-28-22/h1-3,5-7,9,11-12,15-16H,4,8,10,13-14H2,(H,23,25).
What are the key properties of 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide has a molecular weight of 426.56 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide is sourced from PubChem (CID 18578077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).