2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide

C23H23ClN2O4S — CID 53280542

IUPAC2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-7-8-17(2)22(13-16)25-23(27)15-26(19-6-4-5-18(24)14-19)31(28,29)21-11-9-20(30-3)10-12-21/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyFIZUIWVNXVMXGJ-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.80
Rot. Bonds7

About 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 53280542) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
PubChem CID53280542
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-7-8-17(2)22(13-16)25-23(27)15-26(19-6-4-5-18(24)14-19)31(28,29)21-11-9-20(30-3)10-12-21/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyFIZUIWVNXVMXGJ-UHFFFAOYSA-N
XLogP4.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126179354
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126386851
N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126149220
3-[[2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
CID 53280491
N-tert-butyl-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280450
N-(4-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126121109
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139283
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43897993
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 5167915
N-(2,5-dichlorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2206870

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide (CID 53280542) is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is FIZUIWVNXVMXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-16-7-8-17(2)22(13-16)25-23(27)15-26(19-6-4-5-18(24)14-19)31(28,29)21-11-9-20(30-3)10-12-21/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide?
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 53280542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).