N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide

C25H28N2O4S2 — CID 30454912

IUPACN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N(CCC(=O)N2CCc3sccc3C2)S(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C25H28N2O4S2/c1-18-4-9-23(16-19(18)2)33(29,30)27(21-5-7-22(31-3)8-6-21)14-11-25(28)26-13-10-24-20(17-26)12-15-32-24/h4-9,12,15-16H,10-11,13-14,17H2,1-3H3
InChIKeyFNZUCGLFLCTRGM-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.54
Rot. Bonds7

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 30454912) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID30454912
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC NameN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N(CCC(=O)N2CCc3sccc3C2)S(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C25H28N2O4S2/c1-18-4-9-23(16-19(18)2)33(29,30)27(21-5-7-22(31-3)8-6-21)14-11-25(28)26-13-10-24-20(17-26)12-15-32-24/h4-9,12,15-16H,10-11,13-14,17H2,1-3H3
InChIKeyFNZUCGLFLCTRGM-UHFFFAOYSA-N
XLogP4.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3,4-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 18108554
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 24606611
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3-methoxyphenyl)propan-1-one
CID 134051244
N-(4-bromo-3-methylphenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-4-oxobutanamide
CID 86963136
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(2,5-dimethylphenoxy)pentan-1-one
CID 47721238
3-(N-(3,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 16551450
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]butane-1,4-dione
CID 56533768
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-N-phenylbenzenesulfonamide
CID 30266245
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 26017009
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-methoxy-3-methyl-2-pyridinyl)methanone
CID 166385335

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide (CID 30454912) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide is COc1ccc(N(CCC(=O)N2CCc3sccc3C2)S(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is FNZUCGLFLCTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-18-4-9-23(16-19(18)2)33(29,30)27(21-5-7-22(31-3)8-6-21)14-11-25(28)26-13-10-24-20(17-26)12-15-32-24/h4-9,12,15-16H,10-11,13-14,17H2,1-3H3.
What are the key properties of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide?
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 484.64 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 30454912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).