N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide

C15H14ClNO3S — CID 51891778

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(O)cc2)cc1Cl
InChIInChI=1S/C15H14ClNO3S/c1-20-14-7-2-10(8-13(14)16)17-15(19)9-21-12-5-3-11(18)4-6-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyVQUHEHCHDMJPQU-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.79
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide

N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 51891778) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID51891778
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(O)cc2)cc1Cl
InChIInChI=1S/C15H14ClNO3S/c1-20-14-7-2-10(8-13(14)16)17-15(19)9-21-12-5-3-11(18)4-6-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyVQUHEHCHDMJPQU-UHFFFAOYSA-N
XLogP3.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 2641043
4-[[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 22785949
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide
CID 7974901
N-(3-chloro-4-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316669
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7976869

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide (CID 51891778) is N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide is COc1ccc(NC(=O)CSc2ccc(O)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is VQUHEHCHDMJPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-20-14-7-2-10(8-13(14)16)17-15(19)9-21-12-5-3-11(18)4-6-12/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 323.80 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 51891778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).