N-butan-2-yl-2-propylsulfonylbenzamide

C14H21NO3S — CID 17224858

IUPACN-butan-2-yl-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NC(C)CC
InChIInChI=1S/C14H21NO3S/c1-4-10-19(17,18)13-9-7-6-8-12(13)14(16)15-11(3)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyZAQVNGDVQIJHQY-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.40
Rot. Bonds6

About N-butan-2-yl-2-propylsulfonylbenzamide

N-butan-2-yl-2-propylsulfonylbenzamide (PubChem CID 17224858) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-butan-2-yl-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-propylsulfonylbenzamide
PubChem CID17224858
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-butan-2-yl-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NC(C)CC
InChIInChI=1S/C14H21NO3S/c1-4-10-19(17,18)13-9-7-6-8-12(13)14(16)15-11(3)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyZAQVNGDVQIJHQY-UHFFFAOYSA-N
XLogP2.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide
CID 95374636
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 24703260
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]propanoic acid
CID 54991408
2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide
CID 43393208
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-propylsulfonylbenzamide?
The IUPAC name of N-butan-2-yl-2-propylsulfonylbenzamide (CID 17224858) is N-butan-2-yl-2-propylsulfonylbenzamide.
What is the SMILES notation for N-butan-2-yl-2-propylsulfonylbenzamide?
The canonical SMILES for N-butan-2-yl-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-propylsulfonylbenzamide?
The InChIKey is ZAQVNGDVQIJHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-10-19(17,18)13-9-7-6-8-12(13)14(16)15-11(3)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-propylsulfonylbenzamide?
N-butan-2-yl-2-propylsulfonylbenzamide has a molecular weight of 283.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-propylsulfonylbenzamide is sourced from PubChem (CID 17224858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).