2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide

C20H24Cl2N2O3S — CID 126392917

IUPAC2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H24Cl2N2O3S/c1-15(2)10-11-23-20(25)14-24(13-16-6-4-3-5-7-16)28(26,27)19-12-17(21)8-9-18(19)22/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyLTWHWXZCNRBKII-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.35
Rot. Bonds9

About 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide

2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide (PubChem CID 126392917) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
PubChem CID126392917
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H24Cl2N2O3S/c1-15(2)10-11-23-20(25)14-24(13-16-6-4-3-5-7-16)28(26,27)19-12-17(21)8-9-18(19)22/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyLTWHWXZCNRBKII-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
CID 126012482
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 21380315
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 45371966
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 988036
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544415
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2290702
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28544429
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791732
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 7917888
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide (CID 126392917) is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is LTWHWXZCNRBKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-15(2)10-11-23-20(25)14-24(13-16-6-4-3-5-7-16)28(26,27)19-12-17(21)8-9-18(19)22/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide?
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 443.40 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 126392917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).