(4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine

C16H18ClNO2S2 — CID 164785836

IUPAC(4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCCS(=O)(=O)N1Cc2sc(Cl)cc2[C@@H](c2ccccc2C)C1
InChIInChI=1S/C16H18ClNO2S2/c1-3-22(19,20)18-9-14(12-7-5-4-6-11(12)2)13-8-16(17)21-15(13)10-18/h4-8,14H,3,9-10H2,1-2H3/t14-/m1/s1
InChIKeyAYGCGYKLWZMQDV-CQSZACIVSA-N
MW355.91 g/mol
LogP4.01
Rot. Bonds3

About (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine

(4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 164785836) has the molecular formula C16H18ClNO2S2 and a molecular weight of 355.91 g/mol. Its IUPAC name is (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name(4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID164785836
Molecular FormulaC16H18ClNO2S2
Molecular Weight355.91 g/mol
Exact Mass355.05
IUPAC Name(4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCCS(=O)(=O)N1Cc2sc(Cl)cc2[C@@H](c2ccccc2C)C1
InChIInChI=1S/C16H18ClNO2S2/c1-3-22(19,20)18-9-14(12-7-5-4-6-11(12)2)13-8-16(17)21-15(13)10-18/h4-8,14H,3,9-10H2,1-2H3/t14-/m1/s1
InChIKeyAYGCGYKLWZMQDV-CQSZACIVSA-N
XLogP4.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine 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-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 155140654
(E)-4-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]but-2-en-1-one
CID 155140660
(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4-(dimethylamino)but-2-en-1-one
CID 155141006
[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone
CID 164947290
(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4-difluorobut-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4-difluorobut-2-en-1-one
CID 165016010
(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4-difluoro-4-(2-methylphenyl)but-2-en-1-one
CID 155141108
1-[(4S)-2-chloro-4-(2-ethylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 155140849
tert-butyl (4S)-4-(2-bromophenyl)-2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 169069584
1-[(4R)-2-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 164785772
(4S)-2-chloro-4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 166667302
buta-1,3-diene;2-chloro-6-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 156810204
1-[(4S)-2-chloro-4-[2-[1-ethyl-3-(2-fluoropropan-2-yl)pyrazol-4-yl]-3-methylphenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 170150171

Frequently Asked Questions

What is the IUPAC name of (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 164785836) is (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine is CCS(=O)(=O)N1Cc2sc(Cl)cc2[C@@H](c2ccccc2C)C1.
What is the InChIKey of (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is AYGCGYKLWZMQDV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18ClNO2S2/c1-3-22(19,20)18-9-14(12-7-5-4-6-11(12)2)13-8-16(17)21-15(13)10-18/h4-8,14H,3,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
(4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 355.91 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-chloro-6-ethylsulfonyl-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 164785836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).