3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide

C14H16ClNOS — CID 977596

IUPAC3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H16ClNOS/c1-4-14(2,3)16-13(17)12-11(15)9-7-5-6-8-10(9)18-12/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyIOFJWJQHYHISNC-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.47
Rot. Bonds3

About 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 977596) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID977596
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H16ClNOS/c1-4-14(2,3)16-13(17)12-11(15)9-7-5-6-8-10(9)18-12/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyIOFJWJQHYHISNC-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-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-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-methylpentanoic acid
CID 43618669
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 107844908
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
CID 18169005
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 43240664
3-chloro-6-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 55891317
3-chloro-N-[(E)-pentan-2-ylideneamino]-1-benzothiophene-2-carboxamide
CID 19685326
methyl (2S)-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-ethylpentanoate
CID 95781043

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide (CID 977596) is 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide is CCC(C)(C)NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is IOFJWJQHYHISNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-4-14(2,3)16-13(17)12-11(15)9-7-5-6-8-10(9)18-12/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 281.81 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 977596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).