N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide

C17H25NO3S2 — CID 55965539

IUPACN-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C17H25NO3S2/c1-12(2)23(20,21)13(3)17(19)18-14-8-10-16(11-9-14)22-15-6-4-5-7-15/h8-13,15H,4-7H2,1-3H3,(H,18,19)
InChIKeyFROYYZSYFAYELZ-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.87
Rot. Bonds6

About N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide

N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide (PubChem CID 55965539) has the molecular formula C17H25NO3S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
PubChem CID55965539
Molecular FormulaC17H25NO3S2
Molecular Weight355.53 g/mol
Exact Mass355.13
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C17H25NO3S2/c1-12(2)23(20,21)13(3)17(19)18-14-8-10-16(11-9-14)22-15-6-4-5-7-15/h8-13,15H,4-7H2,1-3H3,(H,18,19)
InChIKeyFROYYZSYFAYELZ-UHFFFAOYSA-N
XLogP3.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
CID 112840313
2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride
CID 119293416
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60886177
2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
CID 46598242
(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide
CID 52515319
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 37400587
N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 37400585
(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 37400112
(2S)-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 95665678

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide (CID 55965539) is N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)C(C)C(=O)Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide?
The InChIKey is FROYYZSYFAYELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S2/c1-12(2)23(20,21)13(3)17(19)18-14-8-10-16(11-9-14)22-15-6-4-5-7-15/h8-13,15H,4-7H2,1-3H3,(H,18,19).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide?
N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide has a molecular weight of 355.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 55965539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).