N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide

C23H23ClN2O4S — CID 30263600

IUPACN-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1C
InChIInChI=1S/C23H23ClN2O4S/c1-17-14-21(12-13-22(17)30-2)31(28,29)26(20-6-4-3-5-7-20)16-23(27)25-15-18-8-10-19(24)11-9-18/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyNHNSNQHJMXFHOF-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.17
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide

N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30263600) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
PubChem CID30263600
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1C
InChIInChI=1S/C23H23ClN2O4S/c1-17-14-21(12-13-22(17)30-2)31(28,29)26(20-6-4-3-5-7-20)16-23(27)25-15-18-8-10-19(24)11-9-18/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyNHNSNQHJMXFHOF-UHFFFAOYSA-N
XLogP4.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265589
N-[(4-ethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30273048
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 30273922
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30263518
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30277070
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 126033598
N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30269196
N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30271841
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 126033129
N-(3-chlorophenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30258990
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 1336185
N-(3-chloro-4-fluorophenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30267261

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide (CID 30263600) is N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is NHNSNQHJMXFHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-17-14-21(12-13-22(17)30-2)31(28,29)26(20-6-4-3-5-7-20)16-23(27)25-15-18-8-10-19(24)11-9-18/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30263600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).