3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide

C13H9ClN2OS2 — CID 66354000

IUPAC3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)Nc2ccsc2)sc2cccc(Cl)c12
InChIInChI=1S/C13H9ClN2OS2/c14-8-2-1-3-9-10(8)11(15)12(19-9)13(17)16-7-4-5-18-6-7/h1-6H,15H2,(H,16,17)
InChIKeyUGPKEHFMBUJKOT-UHFFFAOYSA-N
MW308.82 g/mol
LogP4.45
Rot. Bonds2

About 3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide

3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 66354000) has the molecular formula C13H9ClN2OS2 and a molecular weight of 308.82 g/mol. Its IUPAC name is 3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide
PubChem CID66354000
Molecular FormulaC13H9ClN2OS2
Molecular Weight308.82 g/mol
Exact Mass307.98
IUPAC Name3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)Nc2ccsc2)sc2cccc(Cl)c12
InChIInChI=1S/C13H9ClN2OS2/c14-8-2-1-3-9-10(8)11(15)12(19-9)13(17)16-7-4-5-18-6-7/h1-6H,15H2,(H,16,17)
InChIKeyUGPKEHFMBUJKOT-UHFFFAOYSA-N
XLogP4.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-chloro-1-benzothiophene-2-carboxylic acid
CID 84791715
3-amino-4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 107855016
3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide
CID 106241425
3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide
CID 1124680
3,4-dichloro-N-(3-ethylphenyl)-1-benzothiophene-2-carboxamide
CID 997805
3-amino-4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 106174302
3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 896662
3-amino-4-chloro-N-[1-(dimethylamino)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 82950351
3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide
CID 114759403
3-amino-4-fluoro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79516844
3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 79515302
3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106137816

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide (CID 66354000) is 3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide is Nc1c(C(=O)Nc2ccsc2)sc2cccc(Cl)c12.
What is the InChIKey of 3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is UGPKEHFMBUJKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS2/c14-8-2-1-3-9-10(8)11(15)12(19-9)13(17)16-7-4-5-18-6-7/h1-6H,15H2,(H,16,17).
What are the key properties of 3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide?
3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 308.82 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 66354000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).