2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide

C18H20ClNO3S — CID 55703716

IUPAC2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20ClNO3S/c1-14(2)20(17-9-4-3-5-10-17)18(21)13-24(22,23)12-15-7-6-8-16(19)11-15/h3-11,14H,12-13H2,1-2H3
InChIKeyBSUXVWKZWYRDMV-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.70
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide

2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 55703716) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID55703716
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20ClNO3S/c1-14(2)20(17-9-4-3-5-10-17)18(21)13-24(22,23)12-15-7-6-8-16(19)11-15/h3-11,14H,12-13H2,1-2H3
InChIKeyBSUXVWKZWYRDMV-UHFFFAOYSA-N
XLogP3.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
CID 47162178
N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
CID 14551932
N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide
CID 60615525
3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202387
2-[S-[(3-chlorophenyl)methyl]-N-methylsulfonimidoyl]acetic acid
CID 112540592
N-butyl-2-[(3-chlorophenyl)methylsulfonyl]acetamide
CID 47155845
2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 2408074
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
3-[(3-chlorophenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82327708
2-[N-benzyl-S-[(3-chlorophenyl)methyl]sulfonimidoyl]acetic acid
CID 112540597
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
CID 7472403
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide (CID 55703716) is 2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is BSUXVWKZWYRDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-14(2)20(17-9-4-3-5-10-17)18(21)13-24(22,23)12-15-7-6-8-16(19)11-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide?
2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 365.88 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 55703716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).