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

C13H13N3O2S — CID 65350067

IUPAC2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H13N3O2S/c14-9-3-1-2-8(6-9)7-11(17)16-13-10(12(15)18)4-5-19-13/h1-6H,7,14H2,(H2,15,18)(H,16,17)
InChIKeyMWIQUYOWCOBCBB-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.61
Rot. Bonds4

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

2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 65350067) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide
PubChem CID65350067
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H13N3O2S/c14-9-3-1-2-8(6-9)7-11(17)16-13-10(12(15)18)4-5-19-13/h1-6H,7,14H2,(H2,15,18)(H,16,17)
InChIKeyMWIQUYOWCOBCBB-UHFFFAOYSA-N
XLogP1.61
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide
CID 54585084
2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 16849419
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide
CID 1246796
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 8794919
2-(3-aminophenyl)-N-(3,5-dichlorophenyl)acetamide
CID 28712382
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
2-[[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetyl]amino]thiophene-3-carboxamide
CID 54582187
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide (CID 65350067) is 2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is MWIQUYOWCOBCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-9-3-1-2-8(6-9)7-11(17)16-13-10(12(15)18)4-5-19-13/h1-6H,7,14H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 65350067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).