2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide

C13H13N3O2S2 — CID 56959661

IUPAC2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide
SMILESCSc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)s1
InChIInChI=1S/C13H13N3O2S2/c1-19-9-5-3-2-4-7(9)10-6-8(11(14)17)12(20-10)16-13(15)18/h2-6H,1H3,(H2,14,17)(H3,15,16,18)
InChIKeyYCUJABREXHAXMG-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.73
Rot. Bonds4

About 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide

2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide (PubChem CID 56959661) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide
PubChem CID56959661
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide
SMILESCSc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)s1
InChIInChI=1S/C13H13N3O2S2/c1-19-9-5-3-2-4-7(9)10-6-8(11(14)17)12(20-10)16-13(15)18/h2-6H,1H3,(H2,14,17)(H3,15,16,18)
InChIKeyYCUJABREXHAXMG-UHFFFAOYSA-N
XLogP2.73
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide (CID 56959661) is 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide is CSc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)s1.
What is the InChIKey of 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide?
The InChIKey is YCUJABREXHAXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-19-9-5-3-2-4-7(9)10-6-8(11(14)17)12(20-10)16-13(15)18/h2-6H,1H3,(H2,14,17)(H3,15,16,18).
What are the key properties of 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide?
2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 56959661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).