2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide

C22H21ClN2O4S — CID 22304342

IUPAC2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNc2cccc(S(=O)(=O)c3ccc(C)cc3)c2Cl)c1
InChIInChI=1S/C22H21ClN2O4S/c1-15-9-11-18(12-10-15)30(27,28)20-8-4-7-19(22(20)23)24-14-21(26)25-16-5-3-6-17(13-16)29-2/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyUBJJFHNHYOSMRP-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.54
Rot. Bonds7

About 2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide

2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide (PubChem CID 22304342) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
PubChem CID22304342
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNc2cccc(S(=O)(=O)c3ccc(C)cc3)c2Cl)c1
InChIInChI=1S/C22H21ClN2O4S/c1-15-9-11-18(12-10-15)30(27,28)20-8-4-7-19(22(20)23)24-14-21(26)25-16-5-3-6-17(13-16)29-2/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyUBJJFHNHYOSMRP-UHFFFAOYSA-N
XLogP4.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304744
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
CID 109039529
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304331
2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 22305201
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 86910684
2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304735
2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869328
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide (CID 22304342) is 2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNc2cccc(S(=O)(=O)c3ccc(C)cc3)c2Cl)c1.
What is the InChIKey of 2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is UBJJFHNHYOSMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-15-9-11-18(12-10-15)30(27,28)20-8-4-7-19(22(20)23)24-14-21(26)25-16-5-3-6-17(13-16)29-2/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide?
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 444.94 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 22304342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).