N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide

C19H22ClNO3S — CID 41244659

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSCCCOc1ccccc1
InChIInChI=1S/C19H22ClNO3S/c1-14-11-17(18(23-2)12-16(14)20)21-19(22)13-25-10-6-9-24-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,22)
InChIKeySZHNWCLPJYDPJI-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.80
Rot. Bonds9

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide (PubChem CID 41244659) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide
PubChem CID41244659
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSCCCOc1ccccc1
InChIInChI=1S/C19H22ClNO3S/c1-14-11-17(18(23-2)12-16(14)20)21-19(22)13-25-10-6-9-24-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,22)
InChIKeySZHNWCLPJYDPJI-UHFFFAOYSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203066
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7731773
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115
N-(4-chloro-2-methoxy-5-methylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 7402984
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922845
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191445
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 87029713
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide (CID 41244659) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CSCCCOc1ccccc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide?
The InChIKey is SZHNWCLPJYDPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-14-11-17(18(23-2)12-16(14)20)21-19(22)13-25-10-6-9-24-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide has a molecular weight of 379.91 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide is sourced from PubChem (CID 41244659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).