N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide

C19H15ClNOPS — CID 2776625

IUPACN-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide
SMILESO=P(C(=S)Nc1ccccc1Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15ClNOPS/c20-17-13-7-8-14-18(17)21-19(24)23(22,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,24)
InChIKeyZPHUBLFAASIMJE-UHFFFAOYSA-N
MW371.83 g/mol
LogP5.05
Rot. Bonds4

About N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide

N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide (PubChem CID 2776625) has the molecular formula C19H15ClNOPS and a molecular weight of 371.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide
PubChem CID2776625
Molecular FormulaC19H15ClNOPS
Molecular Weight371.83 g/mol
Exact Mass371.03
IUPAC NameN-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide
SMILESO=P(C(=S)Nc1ccccc1Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15ClNOPS/c20-17-13-7-8-14-18(17)21-19(24)23(22,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,24)
InChIKeyZPHUBLFAASIMJE-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.83
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-methyl N-(2-chlorophenyl)carbamothioate
CID 2741365
(2-chloro-6-methylphenyl)-diphenylphosphorylmethanethione
CID 54557608
1-carbamothioyl-3-(2-chlorophenyl)urea
CID 134087665
N-(2-chlorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712782
2-[(2-chlorophenyl)carbamothioylamino]benzenethiolate
CID 6932852
1-benzyl-3-(2-chlorophenyl)-1-phenylthiourea
CID 17384143
1-(2-chlorophenyl)-3-cyanothiourea
CID 11769784
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
N-[4-[(2-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57081310
N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 732169

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide?
The IUPAC name of N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide (CID 2776625) is N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide?
The canonical SMILES for N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide is O=P(C(=S)Nc1ccccc1Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide?
The InChIKey is ZPHUBLFAASIMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClNOPS/c20-17-13-7-8-14-18(17)21-19(24)23(22,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide?
N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide has a molecular weight of 371.83 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide is sourced from PubChem (CID 2776625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).