2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide

C13H13N3O2S2 — CID 43249185

IUPAC2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1ccccc1N
InChIInChI=1S/C13H13N3O2S2/c14-9-3-1-2-4-10(9)20-7-11(17)16-13-8(12(15)18)5-6-19-13/h1-6H,7,14H2,(H2,15,18)(H,16,17)
InChIKeySVUFTVHKQXGBFM-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.16
Rot. Bonds5

About 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide

2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide (PubChem CID 43249185) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
PubChem CID43249185
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1ccccc1N
InChIInChI=1S/C13H13N3O2S2/c14-9-3-1-2-4-10(9)20-7-11(17)16-13-8(12(15)18)5-6-19-13/h1-6H,7,14H2,(H2,15,18)(H,16,17)
InChIKeySVUFTVHKQXGBFM-UHFFFAOYSA-N
XLogP2.16
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 43249184
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 2103495
2-[[2-(4-amino-3-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 79130151
2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide
CID 154836572
2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid
CID 43171489
2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 7847408
2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2504682
(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142180
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2498614
2-[[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 7994260
2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 94812447

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide (CID 43249185) is 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CSc1ccccc1N.
What is the InChIKey of 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The InChIKey is SVUFTVHKQXGBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c14-9-3-1-2-4-10(9)20-7-11(17)16-13-8(12(15)18)5-6-19-13/h1-6H,7,14H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 43249185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).