2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide

C17H16ClN3O3S — CID 17351252

IUPAC2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NC(=S)Nc1ccccc1C(=O)NCCO)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3S/c18-12-7-5-11(6-8-12)15(23)21-17(25)20-14-4-2-1-3-13(14)16(24)19-9-10-22/h1-8,22H,9-10H2,(H,19,24)(H2,20,21,23,25)
InChIKeySEHAEPFMYKRFSL-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.19
Rot. Bonds5

About 2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide

2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 17351252) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID17351252
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NC(=S)Nc1ccccc1C(=O)NCCO)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3S/c18-12-7-5-11(6-8-12)15(23)21-17(25)20-14-4-2-1-3-13(14)16(24)19-9-10-22/h1-8,22H,9-10H2,(H,19,24)(H2,20,21,23,25)
InChIKeySEHAEPFMYKRFSL-UHFFFAOYSA-N
XLogP2.19
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide
CID 17351262
N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17351324
N-(2-hydroxyethyl)-2-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 17351313
2-[(4-hexoxybenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
CID 17351308
2-[(4-chlorobenzoyl)carbamothioylamino]-N-cyclohexylbenzamide
CID 1015644
2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17150463
2-(cyclopropanecarbonylcarbamothioylamino)-N-(2-hydroxyethyl)benzamide
CID 17351273
N-benzyl-2-[(4-chlorobenzoyl)carbamothioylamino]-N-methylbenzamide
CID 4937543
N-butyl-2-[(4-phenylbenzoyl)carbamothioylamino]benzamide
CID 17149440
methyl 4-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178653
2-(benzoylcarbamothioylamino)-N-benzylbenzamide
CID 4930615
N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 17086926

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide (CID 17351252) is 2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide is O=C(NC(=S)Nc1ccccc1C(=O)NCCO)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is SEHAEPFMYKRFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c18-12-7-5-11(6-8-12)15(23)21-17(25)20-14-4-2-1-3-13(14)16(24)19-9-10-22/h1-8,22H,9-10H2,(H,19,24)(H2,20,21,23,25).
What are the key properties of 2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide?
2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 377.85 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 17351252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).