2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide

C20H25ClN2O3S — CID 21380315

IUPAC2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25ClN2O3S/c1-16(2)12-13-22-20(24)15-23(14-17-8-10-18(21)11-9-17)27(25,26)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,22,24)
InChIKeyHBCZJOHAFWDQKF-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.69
Rot. Bonds9

About 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide

2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide (PubChem CID 21380315) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
PubChem CID21380315
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25ClN2O3S/c1-16(2)12-13-22-20(24)15-23(14-17-8-10-18(21)11-9-17)27(25,26)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,22,24)
InChIKeyHBCZJOHAFWDQKF-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
CID 2300342
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 126392917
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide
CID 21372651
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4694815
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 7917888
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 21380398
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-propylacetamide
CID 126099656
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126010858

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide (CID 21380315) is 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
The InChIKey is HBCZJOHAFWDQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-16(2)12-13-22-20(24)15-23(14-17-8-10-18(21)11-9-17)27(25,26)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide has a molecular weight of 408.95 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 21380315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).