(7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide

C22H24N2O3S — CID 32952998

IUPAC(7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1cccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@H](C)C4)c1OC
InChIInChI=1S/C22H24N2O3S/c1-11-8-9-13-16(10-11)28-22-19(13)18(17(21(23)25)12(2)24-22)14-6-5-7-15(26-3)20(14)27-4/h5-7,11H,8-10H2,1-4H3,(H2,23,25)/t11-/m0/s1
InChIKeyJEERWSNKHPXLAA-NSHDSACASA-N
MW396.51 g/mol
LogP4.51
Rot. Bonds4

About (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide

(7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide (PubChem CID 32952998) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide
PubChem CID32952998
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name(7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1cccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@H](C)C4)c1OC
InChIInChI=1S/C22H24N2O3S/c1-11-8-9-13-16(10-11)28-22-19(13)18(17(21(23)25)12(2)24-22)14-6-5-7-15(26-3)20(14)27-4/h5-7,11H,8-10H2,1-4H3,(H2,23,25)/t11-/m0/s1
InChIKeyJEERWSNKHPXLAA-NSHDSACASA-N
XLogP4.51
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide 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

[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl 2,6-dimethoxybenzoate
CID 2421433
(6S)-2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7109924
[(7S)-2,7-dimethyl-4-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 25499623
(6S)-2-[(2-methoxy-3-methylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7380334
(6R)-2-[(2-methoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673594
N-(2-methoxyphenyl)-2-[[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 1460197
2-[(2,6-dimethoxybenzoyl)amino]-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 44918351
[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl 3-methoxy-4-methylbenzoate
CID 9474802
ethyl 2-[(2,6-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2787372
[4-[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 93117934
2-[(2-methoxybenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4224915
2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 42915822

Frequently Asked Questions

What is the IUPAC name of (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide (CID 32952998) is (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide is COc1cccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@H](C)C4)c1OC.
What is the InChIKey of (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is JEERWSNKHPXLAA-NSHDSACASA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-11-8-9-13-16(10-11)28-22-19(13)18(17(21(23)25)12(2)24-22)14-6-5-7-15(26-3)20(14)27-4/h5-7,11H,8-10H2,1-4H3,(H2,23,25)/t11-/m0/s1.
What are the key properties of (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide?
(7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-(2,3-dimethoxyphenyl)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 32952998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).