2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide

C16H18N4O3S — CID 27548780

IUPAC2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
SMILESO=C(CSc1nccn1C1CCCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H18N4O3S/c21-15(18-12-4-3-7-14(10-12)20(22)23)11-24-16-17-8-9-19(16)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2,(H,18,21)
InChIKeyDTSQQMXGKBAQJN-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.64
Rot. Bonds6

About 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide

2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide (PubChem CID 27548780) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
PubChem CID27548780
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
SMILESO=C(CSc1nccn1C1CCCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H18N4O3S/c21-15(18-12-4-3-7-14(10-12)20(22)23)11-24-16-17-8-9-19(16)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2,(H,18,21)
InChIKeyDTSQQMXGKBAQJN-UHFFFAOYSA-N
XLogP3.64
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.64
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

N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585466
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22585430
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 16587926
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 26816808
N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide;hydrate
CID 139088112
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CID 8878751
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465
2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 5071095

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide (CID 27548780) is 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide is O=C(CSc1nccn1C1CCCC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide?
The InChIKey is DTSQQMXGKBAQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-15(18-12-4-3-7-14(10-12)20(22)23)11-24-16-17-8-9-19(16)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2,(H,18,21).
What are the key properties of 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide?
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 27548780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).