2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide

C24H17ClN2OS — CID 3251814

IUPAC2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C24H17ClN2OS/c25-22-13-7-6-12-21(22)23(28)26-24(29)27(19-10-2-1-3-11-19)20-15-14-17-8-4-5-9-18(17)16-20/h1-16H,(H,26,28,29)
InChIKeyHSSIQUPKMIAPNE-UHFFFAOYSA-N
MW416.93 g/mol
LogP6.35
Rot. Bonds3

About 2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide

2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide (PubChem CID 3251814) has the molecular formula C24H17ClN2OS and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide
PubChem CID3251814
Molecular FormulaC24H17ClN2OS
Molecular Weight416.93 g/mol
Exact Mass416.08
IUPAC Name2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C24H17ClN2OS/c25-22-13-7-6-12-21(22)23(28)26-24(29)27(19-10-2-1-3-11-19)20-15-14-17-8-4-5-9-18(17)16-20/h1-16H,(H,26,28,29)
InChIKeyHSSIQUPKMIAPNE-UHFFFAOYSA-N
XLogP6.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.93
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(diphenylcarbamothioyl)benzamide
CID 5045349
2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide
CID 587064
N-carbamothioyl-2-chlorobenzamide
CID 3909253
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
2-chloro-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]benzamide
CID 5254364
3,5-dichloro-4-[(2-chlorobenzoyl)carbamothioylamino]benzoic acid
CID 50850073
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-chlorobenzamide
CID 4626889
2-bromo-N-[methyl(phenyl)carbamothioyl]benzamide
CID 4778331
2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide
CID 14600661
N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 1342378
2-chloro-1-naphthalen-2-yl-1-phenylhydrazine
CID 90345926
2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 2878599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide?
The IUPAC name of 2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide (CID 3251814) is 2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide is O=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide?
The InChIKey is HSSIQUPKMIAPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2OS/c25-22-13-7-6-12-21(22)23(28)26-24(29)27(19-10-2-1-3-11-19)20-15-14-17-8-4-5-9-18(17)16-20/h1-16H,(H,26,28,29).
What are the key properties of 2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide?
2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide has a molecular weight of 416.93 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide is sourced from PubChem (CID 3251814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).