N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide

C19H18N2O3S3 — CID 55794078

IUPACN-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESCC1c2ccsc2CCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H18N2O3S3/c1-13-16-8-11-25-17(16)7-9-21(13)19(22)14-4-2-5-15(12-14)20-27(23,24)18-6-3-10-26-18/h2-6,8,10-13,20H,7,9H2,1H3
InChIKeyQGUJIMZPXAVKJW-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.37
Rot. Bonds4

About N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide

N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide (PubChem CID 55794078) has the molecular formula C19H18N2O3S3 and a molecular weight of 418.57 g/mol. Its IUPAC name is N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide
PubChem CID55794078
Molecular FormulaC19H18N2O3S3
Molecular Weight418.57 g/mol
Exact Mass418.05
IUPAC NameN-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESCC1c2ccsc2CCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H18N2O3S3/c1-13-16-8-11-25-17(16)7-9-21(13)19(22)14-4-2-5-15(12-14)20-27(23,24)18-6-3-10-26-18/h2-6,8,10-13,20H,7,9H2,1H3
InChIKeyQGUJIMZPXAVKJW-UHFFFAOYSA-N
XLogP4.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,5-dimethylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55831038
(3-methoxyphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156078
(3-iodophenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8948818
(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370582
N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55786880
3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 8949305
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide
CID 155947417
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride
CID 120814349
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 119540689
2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 25407635
[2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 92584927

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide (CID 55794078) is N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide is CC1c2ccsc2CCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is QGUJIMZPXAVKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S3/c1-13-16-8-11-25-17(16)7-9-21(13)19(22)14-4-2-5-15(12-14)20-27(23,24)18-6-3-10-26-18/h2-6,8,10-13,20H,7,9H2,1H3.
What are the key properties of N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide?
N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 418.57 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55794078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).