(6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C20H20N4O2S — CID 7387665

IUPAC(6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESC[C@H]1CCc2c(sc(NC(=O)c3ccc(-n4cccn4)cc3)c2C(N)=O)C1
InChIInChI=1S/C20H20N4O2S/c1-12-3-8-15-16(11-12)27-20(17(15)18(21)25)23-19(26)13-4-6-14(7-5-13)24-10-2-9-22-24/h2,4-7,9-10,12H,3,8,11H2,1H3,(H2,21,25)(H,23,26)/t12-/m0/s1
InChIKeyHDCODRSVLDTYBV-LBPRGKRZSA-N
MW380.47 g/mol
LogP3.41
Rot. Bonds4

About (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

(6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 7387665) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name(6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID7387665
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name(6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESC[C@H]1CCc2c(sc(NC(=O)c3ccc(-n4cccn4)cc3)c2C(N)=O)C1
InChIInChI=1S/C20H20N4O2S/c1-12-3-8-15-16(11-12)27-20(17(15)18(21)25)23-19(26)13-4-6-14(7-5-13)24-10-2-9-22-24/h2,4-7,9-10,12H,3,8,11H2,1H3,(H2,21,25)(H,23,26)/t12-/m0/s1
InChIKeyHDCODRSVLDTYBV-LBPRGKRZSA-N
XLogP3.41
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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

2-[(4-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3783108
(6S)-2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 897131
2-[(4-hydroxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4115298
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylpyrazole-4-carboxamide
CID 4771760
(6R)-6-methyl-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 9100406
2-[[4-(diethylamino)benzoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5199134
2-N,5-N-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2,5-dicarboxamide
CID 4107125
(6R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2325366
2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2850359
6-methyl-2-[(4-phenylmethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3283000
(6R)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 899640
2-[(4-fluorobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4596701

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 7387665) is (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C[C@H]1CCc2c(sc(NC(=O)c3ccc(-n4cccn4)cc3)c2C(N)=O)C1.
What is the InChIKey of (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is HDCODRSVLDTYBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12-3-8-15-16(11-12)27-20(17(15)18(21)25)23-19(26)13-4-6-14(7-5-13)24-10-2-9-22-24/h2,4-7,9-10,12H,3,8,11H2,1H3,(H2,21,25)(H,23,26)/t12-/m0/s1.
What are the key properties of (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
(6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 7387665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).