5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide

C13H13N3O2S — CID 79605970

IUPAC5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1cccc(NCc2cc(C(N)=O)cs2)c1
InChIInChI=1S/C13H13N3O2S/c14-12(17)8-2-1-3-10(4-8)16-6-11-5-9(7-19-11)13(15)18/h1-5,7,16H,6H2,(H2,14,17)(H2,15,18)
InChIKeyVRGHPMGDIXERDN-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.56
Rot. Bonds5

About 5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide

5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide (PubChem CID 79605970) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
PubChem CID79605970
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1cccc(NCc2cc(C(N)=O)cs2)c1
InChIInChI=1S/C13H13N3O2S/c14-12(17)8-2-1-3-10(4-8)16-6-11-5-9(7-19-11)13(15)18/h1-5,7,16H,6H2,(H2,14,17)(H2,15,18)
InChIKeyVRGHPMGDIXERDN-UHFFFAOYSA-N
XLogP1.56
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethylanilino)methyl]thiophene-3-carboxamide
CID 79606559
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741
5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
CID 79611128
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000
5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide
CID 79614134
5-[(3-bromo-4-iodoanilino)methyl]thiophene-3-carboxamide
CID 114261938
methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 75385201
5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide
CID 79611666
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
ethyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79610647

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide (CID 79605970) is 5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide is NC(=O)c1cccc(NCc2cc(C(N)=O)cs2)c1.
What is the InChIKey of 5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide?
The InChIKey is VRGHPMGDIXERDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-12(17)8-2-1-3-10(4-8)16-6-11-5-9(7-19-11)13(15)18/h1-5,7,16H,6H2,(H2,14,17)(H2,15,18).
What are the key properties of 5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide?
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79605970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).