2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide

C19H23ClN2O3S — CID 7917888

IUPAC2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-15(2)12-21-19(23)14-22(13-16-7-4-3-5-8-16)26(24,25)18-10-6-9-17(20)11-18/h3-11,15H,12-14H2,1-2H3,(H,21,23)
InChIKeyVQHOQNMFEBWIDC-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.30
Rot. Bonds8

About 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide

2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide (PubChem CID 7917888) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
PubChem CID7917888
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-15(2)12-21-19(23)14-22(13-16-7-4-3-5-8-16)26(24,25)18-10-6-9-17(20)11-18/h3-11,15H,12-14H2,1-2H3,(H,21,23)
InChIKeyVQHOQNMFEBWIDC-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 7917886
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 21380315
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 126073003
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 4113243
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 126068242
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 3969354
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 126392917
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28543715
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 28543712
2-[[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]-benzylamino]-N-(2-methylpropyl)butanamide
CID 132739875
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide (CID 7917888) is 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is VQHOQNMFEBWIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-15(2)12-21-19(23)14-22(13-16-7-4-3-5-8-16)26(24,25)18-10-6-9-17(20)11-18/h3-11,15H,12-14H2,1-2H3,(H,21,23).
What are the key properties of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 7917888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).