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

C17H13N3O3S2 — CID 1117998

IUPACN-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H13N3O3S2/c21-15(19-20-17(23)14-4-2-10-25-14)11-5-7-12(8-6-11)18-16(22)13-3-1-9-24-13/h1-10H,(H,18,22)(H,19,21)(H,20,23)
InChIKeyUGUUYAGRVUVRMJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.14
Rot. Bonds4

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

N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 1117998) has the molecular formula C17H13N3O3S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID1117998
Molecular FormulaC17H13N3O3S2
Molecular Weight371.44 g/mol
Exact Mass371.04
IUPAC NameN-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H13N3O3S2/c21-15(19-20-17(23)14-4-2-10-25-14)11-5-7-12(8-6-11)18-16(22)13-3-1-9-24-13/h1-10H,(H,18,22)(H,19,21)(H,20,23)
InChIKeyUGUUYAGRVUVRMJ-UHFFFAOYSA-N
XLogP3.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220
N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9324552
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 27037249
N-[4-[[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9142029
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867

Frequently Asked Questions

What is the IUPAC name of N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide (CID 1117998) is N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(NNC(=O)c1cccs1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is UGUUYAGRVUVRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S2/c21-15(19-20-17(23)14-4-2-10-25-14)11-5-7-12(8-6-11)18-16(22)13-3-1-9-24-13/h1-10H,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1117998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).