N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide

C12H16ClNO3S — CID 47207530

IUPACN-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-2-7-18(16,17)9-12(15)14-8-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyMGTCHHCKDHPGFI-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.78
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide

N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide (PubChem CID 47207530) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide
PubChem CID47207530
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-2-7-18(16,17)9-12(15)14-8-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyMGTCHHCKDHPGFI-UHFFFAOYSA-N
XLogP1.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207572
N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 110285291
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
CID 17225149
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
4-[[[2-(2-methoxyethylsulfonyl)acetyl]amino]methyl]benzoic acid
CID 119353555
N-[(4-chlorophenyl)methyl]-2-(2-methylsulfonylethylsulfanyl)acetamide
CID 56782791
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
4-[2-[(2-propylsulfonylacetyl)amino]ethyl]benzoic acid
CID 119168684
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591
N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide
CID 29281469

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide (CID 47207530) is N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide is CCCS(=O)(=O)CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide?
The InChIKey is MGTCHHCKDHPGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-2-7-18(16,17)9-12(15)14-8-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide?
N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide has a molecular weight of 289.78 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide is sourced from PubChem (CID 47207530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).