N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide

C22H19Cl2NO4S2 — CID 19220373

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(N(C(=O)CSc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C22H19Cl2NO4S2/c1-15-3-10-19(11-4-15)31(27,28)25(17-7-12-21(29-2)20(24)13-17)22(26)14-30-18-8-5-16(23)6-9-18/h3-13H,14H2,1-2H3
InChIKeyYNHYGNHBURMRIK-UHFFFAOYSA-N
MW496.44 g/mol
LogP5.82
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide

N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 19220373) has the molecular formula C22H19Cl2NO4S2 and a molecular weight of 496.44 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide
PubChem CID19220373
Molecular FormulaC22H19Cl2NO4S2
Molecular Weight496.44 g/mol
Exact Mass495.01
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(N(C(=O)CSc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C22H19Cl2NO4S2/c1-15-3-10-19(11-4-15)31(27,28)25(17-7-12-21(29-2)20(24)13-17)22(26)14-30-18-8-5-16(23)6-9-18/h3-13H,14H2,1-2H3
InChIKeyYNHYGNHBURMRIK-UHFFFAOYSA-N
XLogP5.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217802
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998269
4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218645
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 1336185
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 51344673
N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 19210283
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30307440
N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 999403
N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19220173
(2S)-2-[[2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100678806
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217723

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide (CID 19220373) is N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide is COc1ccc(N(C(=O)CSc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is YNHYGNHBURMRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO4S2/c1-15-3-10-19(11-4-15)31(27,28)25(17-7-12-21(29-2)20(24)13-17)22(26)14-30-18-8-5-16(23)6-9-18/h3-13H,14H2,1-2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 496.44 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 19220373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).