N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide

C14H20N4O5S — CID 9209200

IUPACN-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide
SMILESCNS(=O)(=O)c1ccc(NCC(=O)NC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O5S/c1-15-24(22,23)11-6-7-12(13(8-11)18(20)21)16-9-14(19)17-10-4-2-3-5-10/h6-8,10,15-16H,2-5,9H2,1H3,(H,17,19)
InChIKeyKCHVVVJOSXKBJO-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.97
Rot. Bonds7

About N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide

N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide (PubChem CID 9209200) has the molecular formula C14H20N4O5S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide
PubChem CID9209200
Molecular FormulaC14H20N4O5S
Molecular Weight356.40 g/mol
Exact Mass356.12
IUPAC NameN-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide
SMILESCNS(=O)(=O)c1ccc(NCC(=O)NC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O5S/c1-15-24(22,23)11-6-7-12(13(8-11)18(20)21)16-9-14(19)17-10-4-2-3-5-10/h6-8,10,15-16H,2-5,9H2,1H3,(H,17,19)
InChIKeyKCHVVVJOSXKBJO-UHFFFAOYSA-N
XLogP0.97
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
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

4-(cyclohexylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 9186979
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-nitro-4-(propan-2-ylsulfamoyl)anilino]acetamide
CID 51954642
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-nitrobenzamide
CID 43400441
N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide
CID 112768188
4-[4-(methylsulfamoyl)-2-nitroanilino]butanoic acid
CID 43386266
4-[(2-hydroxy-1-methylcyclohexyl)methylamino]-N-methyl-3-nitrobenzenesulfonamide
CID 133344081
N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 43397740
N-cyclopropyl-2-[4-(methylsulfamoyl)anilino]acetamide
CID 43568438
N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide
CID 7550841
4-[(2-amino-2-methylpropyl)amino]-N-methyl-3-nitrobenzenesulfonamide
CID 78954490
4-(cyclopent-3-en-1-ylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 133362103
4-(azetidin-3-ylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 66186796

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide (CID 9209200) is N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide is CNS(=O)(=O)c1ccc(NCC(=O)NC2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide?
The InChIKey is KCHVVVJOSXKBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5S/c1-15-24(22,23)11-6-7-12(13(8-11)18(20)21)16-9-14(19)17-10-4-2-3-5-10/h6-8,10,15-16H,2-5,9H2,1H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide?
N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide has a molecular weight of 356.40 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide is sourced from PubChem (CID 9209200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).