2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide

C17H25N3O5S — CID 46628552

IUPAC2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide
SMILESCS(=O)(=O)c1ccc(NCCNC(=O)CC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H25N3O5S/c1-26(24,25)14-7-8-15(16(12-14)20(22)23)18-9-10-19-17(21)11-13-5-3-2-4-6-13/h7-8,12-13,18H,2-6,9-11H2,1H3,(H,19,21)
InChIKeyYAASLOLLTWBROA-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.50
Rot. Bonds8

About 2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide

2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide (PubChem CID 46628552) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide
PubChem CID46628552
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide
SMILESCS(=O)(=O)c1ccc(NCCNC(=O)CC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H25N3O5S/c1-26(24,25)14-7-8-15(16(12-14)20(22)23)18-9-10-19-17(21)11-13-5-3-2-4-6-13/h7-8,12-13,18H,2-6,9-11H2,1H3,(H,19,21)
InChIKeyYAASLOLLTWBROA-UHFFFAOYSA-N
XLogP2.50
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46547039
2-(3,5-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide
CID 27336180
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide
CID 55699692
(2S,5R)-5-(aminomethyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]oxolane-2-carboxamide
CID 120784786
(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]prop-2-enamide
CID 26977476
2-(2,4-dimethoxyphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide
CID 41284052
N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 27336137
N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24504795
N'-(4-methylsulfonyl-2-nitrophenyl)butane-1,4-diamine
CID 60894165
2-hydroxy-4-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide
CID 31644062
2-(4-methylsulfonyl-2-nitroanilino)ethanesulfonamide
CID 43552379
(2S)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-phenylbutanamide
CID 25493936

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide (CID 46628552) is 2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide is CS(=O)(=O)c1ccc(NCCNC(=O)CC2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide?
The InChIKey is YAASLOLLTWBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-26(24,25)14-7-8-15(16(12-14)20(22)23)18-9-10-19-17(21)11-13-5-3-2-4-6-13/h7-8,12-13,18H,2-6,9-11H2,1H3,(H,19,21).
What are the key properties of 2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide?
2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide is sourced from PubChem (CID 46628552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).