2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide

C15H12N2O2S2 — CID 46926788

IUPAC2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12
InChIInChI=1S/C15H12N2O2S2/c16-14(19)11-5-6-20-15(11)17-13(18)7-9-8-21-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18)
InChIKeyZZKGJVRSUVIYIJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.24
Rot. Bonds4

About 2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 46926788) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID46926788
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12
InChIInChI=1S/C15H12N2O2S2/c16-14(19)11-5-6-20-15(11)17-13(18)7-9-8-21-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18)
InChIKeyZZKGJVRSUVIYIJ-UHFFFAOYSA-N
XLogP3.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 700253
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
2-(3-Methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 690904
N-(3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 1190622
3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
CID 23628220
2-(Thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 675901
4-Ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
2-(Thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 868983

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide (CID 46926788) is 2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12.
What is the InChIKey of 2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is ZZKGJVRSUVIYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c16-14(19)11-5-6-20-15(11)17-13(18)7-9-8-21-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-benzothiophen-3-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 46926788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).