3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide

C15H14ClNO3S2 — CID 166277122

IUPAC3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide
SMILESCCc1ccc2c(Cl)c(C(=O)NC3C=CS(=O)(=O)C3)sc2c1
InChIInChI=1S/C15H14ClNO3S2/c1-2-9-3-4-11-12(7-9)21-14(13(11)16)15(18)17-10-5-6-22(19,20)8-10/h3-7,10H,2,8H2,1H3,(H,17,18)
InChIKeyMVHHKTNDMYBMPL-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.16
Rot. Bonds3

About 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide

3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide (PubChem CID 166277122) has the molecular formula C15H14ClNO3S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide
PubChem CID166277122
Molecular FormulaC15H14ClNO3S2
Molecular Weight355.87 g/mol
Exact Mass355.01
IUPAC Name3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide
SMILESCCc1ccc2c(Cl)c(C(=O)NC3C=CS(=O)(=O)C3)sc2c1
InChIInChI=1S/C15H14ClNO3S2/c1-2-9-3-4-11-12(7-9)21-14(13(11)16)15(18)17-10-5-6-22(19,20)8-10/h3-7,10H,2,8H2,1H3,(H,17,18)
InChIKeyMVHHKTNDMYBMPL-UHFFFAOYSA-N
XLogP3.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 167968392
3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-benzothiophene-2-carboxamide
CID 2973977
3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide
CID 1250772
3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
CID 904005
ethyl 3-chloro-6-ethyl-1-benzothiophene-2-carboxylate
CID 831402
3-chloro-N-[(Z)-1-[4-[(5-chlorothiophene-2-carbonyl)amino]phenyl]ethylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide
CID 28740425
3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 79516022
ethyl 4-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4258890
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519243
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95228911
ethyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4237522

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide (CID 166277122) is 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide is CCc1ccc2c(Cl)c(C(=O)NC3C=CS(=O)(=O)C3)sc2c1.
What is the InChIKey of 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide?
The InChIKey is MVHHKTNDMYBMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S2/c1-2-9-3-4-11-12(7-9)21-14(13(11)16)15(18)17-10-5-6-22(19,20)8-10/h3-7,10H,2,8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide?
3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 166277122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).