2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide

C20H25ClN2O3S — CID 133178296

IUPAC2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-5-15(2)22-20(24)14-16-6-10-18(11-7-16)23(3)27(25,26)19-12-8-17(21)9-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyHSFGEIOIMAFUEK-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.01
Rot. Bonds8

About 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide (PubChem CID 133178296) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide
PubChem CID133178296
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-5-15(2)22-20(24)14-16-6-10-18(11-7-16)23(3)27(25,26)19-12-8-17(21)9-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyHSFGEIOIMAFUEK-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide
CID 133260941
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787928
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133260963
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 100787781
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126393561
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126415535
N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788554
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide
CID 126322107
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 100788465
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide (CID 133178296) is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide?
The InChIKey is HSFGEIOIMAFUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-4-5-15(2)22-20(24)14-16-6-10-18(11-7-16)23(3)27(25,26)19-12-8-17(21)9-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide?
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide has a molecular weight of 408.95 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 133178296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).