2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide

C14H16N4O2S — CID 176835813

IUPAC2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide
SMILESCC(=O)Nc1ccccc1C(=O)NC(=S)/N=C(\N)C1CC1
InChIInChI=1S/C14H16N4O2S/c1-8(19)16-11-5-3-2-4-10(11)13(20)18-14(21)17-12(15)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,16,19)(H3,15,17,18,20,21)
InChIKeyUHZHSCCNBOYPRO-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.43
Rot. Bonds3

About 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide

2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide (PubChem CID 176835813) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide.

Molecular Properties

Compound Name2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide
PubChem CID176835813
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide
SMILESCC(=O)Nc1ccccc1C(=O)NC(=S)/N=C(\N)C1CC1
InChIInChI=1S/C14H16N4O2S/c1-8(19)16-11-5-3-2-4-10(11)13(20)18-14(21)17-12(15)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,16,19)(H3,15,17,18,20,21)
InChIKeyUHZHSCCNBOYPRO-UHFFFAOYSA-N
XLogP1.43
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide 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-[2-(cyclopropanecarbonyl)phenyl]acetamide
CID 102044050
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 139085269
2-(acetylcarbamothioylamino)-N-cyclohexylbenzamide
CID 1226733
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
2-(acetylcarbamothioylamino)-N-tert-butylbenzamide
CID 4936592
3-acetamido-2-hydroxybenzamide
CID 66833068
2-N-acetylbenzene-1,2-dicarboxamide
CID 19607558
2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide
CID 108914030
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
2-(cyclopropanecarbonylcarbamothioylamino)-N-(2-hydroxyethyl)benzamide
CID 17351273
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
2-acetamidobenzoyl chloride
CID 12520814

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide?
The IUPAC name of 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide (CID 176835813) is 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide.
What is the SMILES notation for 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide?
The canonical SMILES for 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide is CC(=O)Nc1ccccc1C(=O)NC(=S)/N=C(\N)C1CC1.
What is the InChIKey of 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide?
The InChIKey is UHZHSCCNBOYPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8(19)16-11-5-3-2-4-10(11)13(20)18-14(21)17-12(15)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,16,19)(H3,15,17,18,20,21).
What are the key properties of 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide?
2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide has a molecular weight of 304.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(Z)-[amino(cyclopropyl)methylidene]carbamothioyl]benzamide is sourced from PubChem (CID 176835813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).