2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide

C22H21ClN2O4S — CID 1134581

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-16-20(23)9-6-10-21(16)24-22(26)15-25(17-11-13-18(29-2)14-12-17)30(27,28)19-7-4-3-5-8-19/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyLWMAJNMQKFHSBQ-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.49
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 1134581) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID1134581
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-16-20(23)9-6-10-21(16)24-22(26)15-25(17-11-13-18(29-2)14-12-17)30(27,28)19-7-4-3-5-8-19/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyLWMAJNMQKFHSBQ-UHFFFAOYSA-N
XLogP4.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide (CID 1134581) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is LWMAJNMQKFHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-16-20(23)9-6-10-21(16)24-22(26)15-25(17-11-13-18(29-2)14-12-17)30(27,28)19-7-4-3-5-8-19/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 444.94 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 1134581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).