2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide

C16H17ClNO2PS — CID 89046771

IUPAC2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide
SMILESCOPC(Sc1ccccc1NC(=O)CCl)c1ccccc1
InChIInChI=1S/C16H17ClNO2PS/c1-20-21-16(12-7-3-2-4-8-12)22-14-10-6-5-9-13(14)18-15(19)11-17/h2-10,16,21H,11H2,1H3,(H,18,19)
InChIKeyQOMNKNKVQGBFSP-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.89
Rot. Bonds7

About 2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide

2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide (PubChem CID 89046771) has the molecular formula C16H17ClNO2PS and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide
PubChem CID89046771
Molecular FormulaC16H17ClNO2PS
Molecular Weight353.81 g/mol
Exact Mass353.04
IUPAC Name2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide
SMILESCOPC(Sc1ccccc1NC(=O)CCl)c1ccccc1
InChIInChI=1S/C16H17ClNO2PS/c1-20-21-16(12-7-3-2-4-8-12)22-14-10-6-5-9-13(14)18-15(19)11-17/h2-10,16,21H,11H2,1H3,(H,18,19)
InChIKeyQOMNKNKVQGBFSP-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide
CID 16679797
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
methyl 3-[2-[(2-chloroacetyl)amino]anilino]-2-iodo-3-oxopropanoate
CID 134917538
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
CID 155580453
methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130
5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide
CID 71850921
3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
CID 119331778
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
CID 119797995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide (CID 89046771) is 2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide is COPC(Sc1ccccc1NC(=O)CCl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide?
The InChIKey is QOMNKNKVQGBFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClNO2PS/c1-20-21-16(12-7-3-2-4-8-12)22-14-10-6-5-9-13(14)18-15(19)11-17/h2-10,16,21H,11H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide?
2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide has a molecular weight of 353.81 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 89046771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).