N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide

C19H22N2O3S2 — CID 9301220

IUPACN'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
SMILESCOc1cc(SC)ccc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C19H22N2O3S2/c1-24-15-11-13(25-2)8-9-14(15)18(22)20-21-19(23)17-10-12-6-4-3-5-7-16(12)26-17/h8-11H,3-7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRSPIQIPBALCGBB-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.82
Rot. Bonds4

About N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide

N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide (PubChem CID 9301220) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
PubChem CID9301220
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
SMILESCOc1cc(SC)ccc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C19H22N2O3S2/c1-24-15-11-13(25-2)8-9-14(15)18(22)20-21-19(23)17-10-12-6-4-3-5-7-16(12)26-17/h8-11H,3-7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRSPIQIPBALCGBB-UHFFFAOYSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-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'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091
N'-(3,5-dimethoxybenzoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 24643157
N-(4-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9153937
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 55349309
N-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 1245255
N'-(3-methoxybenzoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9441649
N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide
CID 17470852
tert-butyl N-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamate
CID 71944256
N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7913721
N'-(5-methylthiophene-2-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845773
N'-(5-acetylthiophene-2-carbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9089399
N'-[2-(4-methoxyphenoxy)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 24643149

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide?
The IUPAC name of N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide (CID 9301220) is N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide is COc1cc(SC)ccc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2.
What is the InChIKey of N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide?
The InChIKey is RSPIQIPBALCGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-24-15-11-13(25-2)8-9-14(15)18(22)20-21-19(23)17-10-12-6-4-3-5-7-16(12)26-17/h8-11H,3-7H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide?
N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide has a molecular weight of 390.53 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 9301220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).