N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide

C20H19NO3S — CID 41148682

IUPACN-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO3S/c1-14(2)25(23,24)17-12-10-16(11-13-17)20(22)21-19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,1-2H3,(H,21,22)
InChIKeyQHUWPENDADLLPY-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.27
Rot. Bonds4

About N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide

N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide (PubChem CID 41148682) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
PubChem CID41148682
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO3S/c1-14(2)25(23,24)17-12-10-16(11-13-17)20(22)21-19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,1-2H3,(H,21,22)
InChIKeyQHUWPENDADLLPY-UHFFFAOYSA-N
XLogP4.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 16833704
N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
CID 55757507
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
4-(4-acetylphenyl)-N-naphthalen-1-ylbenzamide
CID 170421600
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide
CID 166369016
N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
CID 102214638
N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide
CID 55754649
4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 1215843
ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 23881284
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148674

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide (CID 41148682) is N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide?
The InChIKey is QHUWPENDADLLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-14(2)25(23,24)17-12-10-16(11-13-17)20(22)21-19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,1-2H3,(H,21,22).
What are the key properties of N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide?
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide has a molecular weight of 353.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 41148682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).