N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide

C20H23NO3S2 — CID 37400585

IUPACN-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1
InChIInChI=1S/C20H23NO3S2/c1-26(23,24)14-15-6-8-16(9-7-15)20(22)21-17-10-12-19(13-11-17)25-18-4-2-3-5-18/h6-13,18H,2-5,14H2,1H3,(H,21,22)
InChIKeyBPPPLWWDJZZTCL-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.52
Rot. Bonds6

About N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide

N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 37400585) has the molecular formula C20H23NO3S2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID37400585
Molecular FormulaC20H23NO3S2
Molecular Weight389.54 g/mol
Exact Mass389.11
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1
InChIInChI=1S/C20H23NO3S2/c1-26(23,24)14-15-6-8-16(9-7-15)20(22)21-17-10-12-19(13-11-17)25-18-4-2-3-5-18/h6-13,18H,2-5,14H2,1H3,(H,21,22)
InChIKeyBPPPLWWDJZZTCL-UHFFFAOYSA-N
XLogP4.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26906898
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 8761868
N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 27054975
N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
CID 55965539
4-chloro-N-(4-cyclopentylsulfanylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46600086
N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide
CID 79691673
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
CID 112840313
3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
1-(4-cyclopentylsulfanylphenyl)propan-1-one
CID 82496466
4-(methylsulfonylmethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121988

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide (CID 37400585) is N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is BPPPLWWDJZZTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S2/c1-26(23,24)14-15-6-8-16(9-7-15)20(22)21-17-10-12-19(13-11-17)25-18-4-2-3-5-18/h6-13,18H,2-5,14H2,1H3,(H,21,22).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide?
N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 389.54 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 37400585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).