2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide

C22H21ClN2O4S2 — CID 1295912

IUPAC2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2SC)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O4S2/c1-29-18-11-13-19(14-12-18)31(27,28)25(17-9-7-16(23)8-10-17)15-22(26)24-20-5-3-4-6-21(20)30-2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyUTMFMDFYIWAMDN-UHFFFAOYSA-N
MW477.01 g/mol
LogP4.90
Rot. Bonds8

About 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide

2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 1295912) has the molecular formula C22H21ClN2O4S2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID1295912
Molecular FormulaC22H21ClN2O4S2
Molecular Weight477.01 g/mol
Exact Mass476.06
IUPAC Name2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2SC)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O4S2/c1-29-18-11-13-19(14-12-18)31(27,28)25(17-9-7-16(23)8-10-17)15-22(26)24-20-5-3-4-6-21(20)30-2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyUTMFMDFYIWAMDN-UHFFFAOYSA-N
XLogP4.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892463
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 126390110
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 21372845
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
CID 53280339
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 126274060
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220188
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 43898969
N-(2-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1260792
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 53280196

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide (CID 1295912) is 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2SC)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is UTMFMDFYIWAMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S2/c1-29-18-11-13-19(14-12-18)31(27,28)25(17-9-7-16(23)8-10-17)15-22(26)24-20-5-3-4-6-21(20)30-2/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 477.01 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1295912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).