N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide

C20H21ClN4O4S — CID 20858792

IUPACN-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C20H21ClN4O4S/c1-13-20(14(2)24-23-13)30(27,28)25(17-8-10-18(29-3)11-9-17)12-19(26)22-16-6-4-15(21)5-7-16/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyGHGWFTKUWHOESC-UHFFFAOYSA-N
MW448.93 g/mol
LogP3.52
Rot. Bonds7

About N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide

N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (PubChem CID 20858792) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
PubChem CID20858792
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC NameN-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C20H21ClN4O4S/c1-13-20(14(2)24-23-13)30(27,28)25(17-8-10-18(29-3)11-9-17)12-19(26)22-16-6-4-15(21)5-7-16/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyGHGWFTKUWHOESC-UHFFFAOYSA-N
XLogP3.52
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858805
N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 20858817
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 53280578
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide
CID 3242480
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 20858834
methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 16956742
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880636
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20858807
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (CID 20858792) is N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The InChIKey is GHGWFTKUWHOESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c1-13-20(14(2)24-23-13)30(27,28)25(17-8-10-18(29-3)11-9-17)12-19(26)22-16-6-4-15(21)5-7-16/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide has a molecular weight of 448.93 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is sourced from PubChem (CID 20858792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).