(6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

C19H23N3O3S — CID 25347165

IUPAC(6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2csc3c2CC[C@@H](C)C3)cc1
InChIInChI=1S/C19H23N3O3S/c1-12-3-8-15-16(11-26-17(15)9-12)19(24)22-21-18(23)10-20-13-4-6-14(25-2)7-5-13/h4-7,11-12,20H,3,8-10H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1
InChIKeyIYRJREIPBCSFEI-GFCCVEGCSA-N
MW373.48 g/mol
LogP2.75
Rot. Bonds5

About (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

(6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide (PubChem CID 25347165) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide.

Molecular Properties

Compound Name(6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
PubChem CID25347165
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2csc3c2CC[C@@H](C)C3)cc1
InChIInChI=1S/C19H23N3O3S/c1-12-3-8-15-16(11-26-17(15)9-12)19(24)22-21-18(23)10-20-13-4-6-14(25-2)7-5-13/h4-7,11-12,20H,3,8-10H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1
InChIKeyIYRJREIPBCSFEI-GFCCVEGCSA-N
XLogP2.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide 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

N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4280057
ethyl 2-[[2-(4-methoxyanilino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2792213
N-(2-chloroprop-2-enyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 113238614
N-(2-amino-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119629587
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5138002
(6R)-6-methyl-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 942776
1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-propan-2-ylthiourea
CID 17373397
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
N-(3-hydroxy-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 65037426
(6R)-6-methyl-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 27233307
2-amino-N-(4-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17379210
(6S)-6-methyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 888666

Frequently Asked Questions

What is the IUPAC name of (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
The IUPAC name of (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide (CID 25347165) is (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide.
What is the SMILES notation for (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
The canonical SMILES for (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)c2csc3c2CC[C@@H](C)C3)cc1.
What is the InChIKey of (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
The InChIKey is IYRJREIPBCSFEI-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-3-8-15-16(11-26-17(15)9-12)19(24)22-21-18(23)10-20-13-4-6-14(25-2)7-5-13/h4-7,11-12,20H,3,8-10H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1.
What are the key properties of (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
(6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide has a molecular weight of 373.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N'-[2-(4-methoxyanilino)acetyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide is sourced from PubChem (CID 25347165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).