2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide

C14H18N2O3S — CID 162656374

IUPAC2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1ccc([N+](=O)[O-])cc1)C1CCCC1
InChIInChI=1S/C14H18N2O3S/c15-14(17)13(11-3-1-2-4-11)20-9-10-5-7-12(8-6-10)16(18)19/h5-8,11,13H,1-4,9H2,(H2,15,17)
InChIKeyUBMCZMNCHPUJJP-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.87
Rot. Bonds6

About 2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide

2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide (PubChem CID 162656374) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide
PubChem CID162656374
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1ccc([N+](=O)[O-])cc1)C1CCCC1
InChIInChI=1S/C14H18N2O3S/c15-14(17)13(11-3-1-2-4-11)20-9-10-5-7-12(8-6-10)16(18)19/h5-8,11,13H,1-4,9H2,(H2,15,17)
InChIKeyUBMCZMNCHPUJJP-UHFFFAOYSA-N
XLogP2.87
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide
CID 106737533
(4-nitrophenyl)methyl N'-cyclopropylcarbamimidothioate
CID 47139994
[1-chloro-2-(4-nitrophenyl)ethyl]cycloheptane
CID 63542815
(4-nitrophenyl)methyl N-cyclopentylcarbamate
CID 142246098
cis-(1R,2S)-2-[(4-nitrophenyl)methyl]cyclohexan-1-ol
CID 22878261
1-(hydroxysulfanylmethyl)-4-nitrobenzene
CID 163691163
2-cyano-3-(4-nitrophenyl)propanamide
CID 23829421
2-cyclopentyl-2-(4-nitrophenyl)acetic acid
CID 67078544
4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol
CID 57194666
1,4-bis[(4-nitrophenyl)methylsulfanylmethyl]benzene
CID 10365975
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 81384909

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide (CID 162656374) is 2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide is NC(=O)C(SCc1ccc([N+](=O)[O-])cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
The InChIKey is UBMCZMNCHPUJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-14(17)13(11-3-1-2-4-11)20-9-10-5-7-12(8-6-10)16(18)19/h5-8,11,13H,1-4,9H2,(H2,15,17).
What are the key properties of 2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide has a molecular weight of 294.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 162656374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).