N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide

C19H15N3O2S2 — CID 1348646

IUPACN-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=S)NC(=O)c2cccs2)cc1)c1ccccc1
InChIInChI=1S/C19H15N3O2S2/c23-17(13-5-2-1-3-6-13)20-14-8-10-15(11-9-14)21-19(25)22-18(24)16-7-4-12-26-16/h1-12H,(H,20,23)(H2,21,22,24,25)
InChIKeyZUCVUFZMFVPGTF-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.13
Rot. Bonds4

About N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide

N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 1348646) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID1348646
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC NameN-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=S)NC(=O)c2cccs2)cc1)c1ccccc1
InChIInChI=1S/C19H15N3O2S2/c23-17(13-5-2-1-3-6-13)20-14-8-10-15(11-9-14)21-19(25)22-18(24)16-7-4-12-26-16/h1-12H,(H,20,23)(H2,21,22,24,25)
InChIKeyZUCVUFZMFVPGTF-UHFFFAOYSA-N
XLogP4.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide (CID 1348646) is N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide is O=C(Nc1ccc(NC(=S)NC(=O)c2cccs2)cc1)c1ccccc1.
What is the InChIKey of N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is ZUCVUFZMFVPGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-17(13-5-2-1-3-6-13)20-14-8-10-15(11-9-14)21-19(25)22-18(24)16-7-4-12-26-16/h1-12H,(H,20,23)(H2,21,22,24,25).
What are the key properties of N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzamidophenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 1348646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).