2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C10H14N2O3S2 — CID 35274190

IUPAC2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCS(=O)(=O)Nc1sc2c(c1C(N)=O)CCCC2
InChIInChI=1S/C10H14N2O3S2/c1-17(14,15)12-10-8(9(11)13)6-4-2-3-5-7(6)16-10/h12H,2-5H2,1H3,(H2,11,13)
InChIKeyIMPLFSGQMAWBPY-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.10
Rot. Bonds3

About 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 35274190) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID35274190
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCS(=O)(=O)Nc1sc2c(c1C(N)=O)CCCC2
InChIInChI=1S/C10H14N2O3S2/c1-17(14,15)12-10-8(9(11)13)6-4-2-3-5-7(6)16-10/h12H,2-5H2,1H3,(H2,11,13)
InChIKeyIMPLFSGQMAWBPY-UHFFFAOYSA-N
XLogP1.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_F(1)', 'substructure': 'N/A'}

Analyze 2-(methanesulfonamido)-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-methylphenyl)sulfonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1220084
2-[(3,4-dimethylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2106313
2-[(4-bromophenyl)sulfonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1219705
methyl N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamate
CID 2932152
2-[(2-amino-2-oxoethanethioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17386363
2-[(4-methylphenyl)sulfonylcarbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 23827579
N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide
CID 4123677
2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16640355
2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 741163
2-(3-bromopropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 154375155
2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673603
2-[(2-bromo-2-methylpropanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 114327564

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 35274190) is 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CS(=O)(=O)Nc1sc2c(c1C(N)=O)CCCC2.
What is the InChIKey of 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is IMPLFSGQMAWBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-17(14,15)12-10-8(9(11)13)6-4-2-3-5-7(6)16-10/h12H,2-5H2,1H3,(H2,11,13).
What are the key properties of 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 35274190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).