N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide

C14H13N3O3S — CID 809220

IUPACN-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9(18)15-11-6-4-10(5-7-11)13(19)16-17-14(20)12-3-2-8-21-12/h2-8H,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyYPBSRXUEVHQUDM-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.78
Rot. Bonds3

About N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide

N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide (PubChem CID 809220) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
PubChem CID809220
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9(18)15-11-6-4-10(5-7-11)13(19)16-17-14(20)12-3-2-8-21-12/h2-8H,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyYPBSRXUEVHQUDM-UHFFFAOYSA-N
XLogP1.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
CID 8637772
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9324552
N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]thiophene-2-carboxamide
CID 2224786
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
2-oxo-N-phenyl-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
CID 171982887
N-[4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 27037249
N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]thiophene-2-carboxamide
CID 2234389
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785

Frequently Asked Questions

What is the IUPAC name of N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide (CID 809220) is N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide?
The InChIKey is YPBSRXUEVHQUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9(18)15-11-6-4-10(5-7-11)13(19)16-17-14(20)12-3-2-8-21-12/h2-8H,1H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide?
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide has a molecular weight of 303.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide is sourced from PubChem (CID 809220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).