2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide

C16H17N3OS — CID 169357769

IUPAC2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2NC(N)=S)cc1
InChIInChI=1S/C16H17N3OS/c1-2-11-7-9-12(10-8-11)18-15(20)13-5-3-4-6-14(13)19-16(17)21/h3-10H,2H2,1H3,(H,18,20)(H3,17,19,21)
InChIKeyRXKVBXBESXNVOV-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.16
Rot. Bonds4

About 2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide

2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide (PubChem CID 169357769) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide
PubChem CID169357769
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2NC(N)=S)cc1
InChIInChI=1S/C16H17N3OS/c1-2-11-7-9-12(10-8-11)18-15(20)13-5-3-4-6-14(13)19-16(17)21/h3-10H,2H2,1H3,(H,18,20)(H3,17,19,21)
InChIKeyRXKVBXBESXNVOV-UHFFFAOYSA-N
XLogP3.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
2-(4-ethylanilino)benzamide
CID 177472959
(2-propanoylphenyl)thiourea
CID 169357022
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
N-(4-anilinophenyl)-2-(ethylcarbamothioylamino)benzamide
CID 4942201
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027
N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090
N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
N-(4-ethylphenyl)-2-ethylsulfonylbenzamide
CID 16604948
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 9106065
N-(4-ethylphenyl)benzamide
CID 774063
2-(2-acetamidophenyl)-N-(4-ethylphenyl)-2-oxoacetamide;ethane
CID 143694562

Frequently Asked Questions

What is the IUPAC name of 2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide?
The IUPAC name of 2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide (CID 169357769) is 2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccccc2NC(N)=S)cc1.
What is the InChIKey of 2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide?
The InChIKey is RXKVBXBESXNVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-11-7-9-12(10-8-11)18-15(20)13-5-3-4-6-14(13)19-16(17)21/h3-10H,2H2,1H3,(H,18,20)(H3,17,19,21).
What are the key properties of 2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide?
2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide has a molecular weight of 299.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 169357769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).