2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C20H24ClN3O3S — CID 9099375

IUPAC2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1
InChIInChI=1S/C20H24ClN3O3S/c1-15-5-10-19(18(21)13-15)22-14-20(25)23-16-6-8-17(9-7-16)28(26,27)24-11-3-2-4-12-24/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,23,25)
InChIKeySUVMWBCVICDJKG-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.87
Rot. Bonds6

About 2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 9099375) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID9099375
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC Name2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1
InChIInChI=1S/C20H24ClN3O3S/c1-15-5-10-19(18(21)13-15)22-14-20(25)23-16-6-8-17(9-7-16)28(26,27)24-11-3-2-4-12-24/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,23,25)
InChIKeySUVMWBCVICDJKG-UHFFFAOYSA-N
XLogP3.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9100939
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 42069796
2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173
N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080738
N-(2-chloro-4-fluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083656
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 9099375) is 2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is SUVMWBCVICDJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-15-5-10-19(18(21)13-15)22-14-20(25)23-16-6-8-17(9-7-16)28(26,27)24-11-3-2-4-12-24/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,23,25).
What are the key properties of 2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 421.95 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9099375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).