3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide

C13H10ClNO3S2 — CID 1250772

IUPAC3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(N[C@H]1C=CS(=O)(=O)C1)c1sc2ccccc2c1Cl
InChIInChI=1S/C13H10ClNO3S2/c14-11-9-3-1-2-4-10(9)19-12(11)13(16)15-8-5-6-20(17,18)7-8/h1-6,8H,7H2,(H,15,16)/t8-/m0/s1
InChIKeyQFAZQWQCOSKELB-QMMMGPOBSA-N
MW327.81 g/mol
LogP2.60
Rot. Bonds2

About 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide

3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide (PubChem CID 1250772) has the molecular formula C13H10ClNO3S2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide
PubChem CID1250772
Molecular FormulaC13H10ClNO3S2
Molecular Weight327.81 g/mol
Exact Mass326.98
IUPAC Name3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(N[C@H]1C=CS(=O)(=O)C1)c1sc2ccccc2c1Cl
InChIInChI=1S/C13H10ClNO3S2/c14-11-9-3-1-2-4-10(9)19-12(11)13(16)15-8-5-6-20(17,18)7-8/h1-6,8H,7H2,(H,15,16)/t8-/m0/s1
InChIKeyQFAZQWQCOSKELB-QMMMGPOBSA-N
XLogP2.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-benzothiophene-2-carboxamide
CID 2973977
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)-6-ethyl-1-benzothiophene-2-carboxamide
CID 166277122
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 7047579
3-chloro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzothiophene-2-carboxamide
CID 111661150
3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 79516022
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-[(3S)-2-oxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 889632
3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide
CID 83201945
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 4012468
methyl (2S)-2-[(1S,4S)-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
CID 93310120
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide (CID 1250772) is 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide is O=C(N[C@H]1C=CS(=O)(=O)C1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is QFAZQWQCOSKELB-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H10ClNO3S2/c14-11-9-3-1-2-4-10(9)19-12(11)13(16)15-8-5-6-20(17,18)7-8/h1-6,8H,7H2,(H,15,16)/t8-/m0/s1.
What are the key properties of 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 327.81 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1250772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).