N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide

C14H19N3O5S — CID 951915

IUPACN-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O5S/c1-23(21,22)16(10-14(18)15-11-5-2-3-6-11)12-7-4-8-13(9-12)17(19)20/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,15,18)
InChIKeyZUZITJYTDBEKJL-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.42
Rot. Bonds6

About N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide

N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide (PubChem CID 951915) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide
PubChem CID951915
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC NameN-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O5S/c1-23(21,22)16(10-14(18)15-11-5-2-3-6-11)12-7-4-8-13(9-12)17(19)20/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,15,18)
InChIKeyZUZITJYTDBEKJL-UHFFFAOYSA-N
XLogP1.42
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(morpholin-4-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide
CID 887128
N~1~-cyclopentyl-N~2~-(2-methyl-5-nitrophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2948835
N-(3-fluorophenyl)-N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)glycinamide
CID 1309500
N~1~-[4-(acetylamino)phenyl]-N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)glycinamide
CID 1317768
(2S)-2-(carbamoylamino)-3-methyl-N-(3-nitrophenyl)butanamide
CID 2129380
N-(2,4-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 2174949
N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)-N~1~-(2-phenylethyl)glycinamide
CID 2176116
N-(3-nitrophenyl)-2-oxo-2-(1-piperidinyl)acetamide
CID 2193983
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-tert-butylacetamide
CID 3119038
N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
CID 71462872
1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 891762
2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 891802

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide (CID 951915) is N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide is CS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
The InChIKey is ZUZITJYTDBEKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-23(21,22)16(10-14(18)15-11-5-2-3-6-11)12-7-4-8-13(9-12)17(19)20/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,15,18).
What are the key properties of N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide has a molecular weight of 341.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide is sourced from PubChem (CID 951915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).