N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide

C20H25NO3S — CID 55754629

IUPACN-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C20H25NO3S/c1-4-14-21(15-17-8-6-5-7-9-17)20(22)18-10-12-19(13-11-18)25(23,24)16(2)3/h5-13,16H,4,14-15H2,1-3H3
InChIKeyQTSGPTDSQYZYTB-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.92
Rot. Bonds7

About N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide

N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide (PubChem CID 55754629) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide
PubChem CID55754629
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C20H25NO3S/c1-4-14-21(15-17-8-6-5-7-9-17)20(22)18-10-12-19(13-11-18)25(23,24)16(2)3/h5-13,16H,4,14-15H2,1-3H3
InChIKeyQTSGPTDSQYZYTB-UHFFFAOYSA-N
XLogP3.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
2-[2-phenylethyl-(4-propan-2-ylsulfonylbenzoyl)amino]acetic acid
CID 119347223
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600
N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 31741575
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877
2-(benzenesulfonyl)-N,N-dibenzylpropanamide
CID 112779733
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide?
The IUPAC name of N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide (CID 55754629) is N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide.
What is the SMILES notation for N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide?
The canonical SMILES for N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide?
The InChIKey is QTSGPTDSQYZYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-4-14-21(15-17-8-6-5-7-9-17)20(22)18-10-12-19(13-11-18)25(23,24)16(2)3/h5-13,16H,4,14-15H2,1-3H3.
What are the key properties of N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide?
N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide has a molecular weight of 359.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide is sourced from PubChem (CID 55754629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).