2-benzylsulfonyl-N-propylacetamide

C12H17NO3S — CID 47155800

IUPAC2-benzylsulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H17NO3S/c1-2-8-13-12(14)10-17(15,16)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14)
InChIKeyJFJIRWGBFKJUGW-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.13
Rot. Bonds6

About 2-benzylsulfonyl-N-propylacetamide

2-benzylsulfonyl-N-propylacetamide (PubChem CID 47155800) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-propylacetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-propylacetamide
PubChem CID47155800
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-benzylsulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H17NO3S/c1-2-8-13-12(14)10-17(15,16)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14)
InChIKeyJFJIRWGBFKJUGW-UHFFFAOYSA-N
XLogP1.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
N-butyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 86923016
N-butyl-2-[(3-chlorophenyl)methylsulfonyl]acetamide
CID 47155845
N-(benzylsulfonylmethyl)propan-1-amine
CID 173193480
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
2-[(4-aminophenyl)methylsulfonyl]-N-benzylacetamide
CID 94804309
N-propyl-2-propylsulfonylacetamide
CID 86989509
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
N'-benzyl-N-propylpropanediamide
CID 108940601
N-butyl-2-[(3-cyanophenyl)methylsulfonyl]acetamide
CID 82177600
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
CID 17225149

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-propylacetamide?
The IUPAC name of 2-benzylsulfonyl-N-propylacetamide (CID 47155800) is 2-benzylsulfonyl-N-propylacetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-propylacetamide?
The canonical SMILES for 2-benzylsulfonyl-N-propylacetamide is CCCNC(=O)CS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonyl-N-propylacetamide?
The InChIKey is JFJIRWGBFKJUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-2-8-13-12(14)10-17(15,16)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14).
What are the key properties of 2-benzylsulfonyl-N-propylacetamide?
2-benzylsulfonyl-N-propylacetamide has a molecular weight of 255.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-propylacetamide is sourced from PubChem (CID 47155800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).