2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide

C16H17N3O3S2 — CID 10309143

IUPAC2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(SC1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O3S2/c20-15(18-16-17-9-10-23-16)14(24-13-3-1-2-4-13)11-5-7-12(8-6-11)19(21)22/h5-10,13-14H,1-4H2,(H,17,18,20)
InChIKeyLOWAOOYLJGBXRW-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.41
Rot. Bonds6

About 2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide

2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 10309143) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID10309143
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(SC1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O3S2/c20-15(18-16-17-9-10-23-16)14(24-13-3-1-2-4-13)11-5-7-12(8-6-11)19(21)22/h5-10,13-14H,1-4H2,(H,17,18,20)
InChIKeyLOWAOOYLJGBXRW-UHFFFAOYSA-N
XLogP4.41
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide
CID 59097009
2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide
CID 59097036
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene
CID 174506576
2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 72697999
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 25363384
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361114

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide (CID 10309143) is 2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(SC1CCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LOWAOOYLJGBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c20-15(18-16-17-9-10-23-16)14(24-13-3-1-2-4-13)11-5-7-12(8-6-11)19(21)22/h5-10,13-14H,1-4H2,(H,17,18,20).
What are the key properties of 2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide?
2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 10309143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).