N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide

C15H21N3O5S — CID 2948835

IUPACN-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C15H21N3O5S/c1-11-7-8-13(18(20)21)9-14(11)17(24(2,22)23)10-15(19)16-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,16,19)
InChIKeyZXXPVISGIOSTOE-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.73
Rot. Bonds6

About N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide

N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide (PubChem CID 2948835) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
PubChem CID2948835
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C15H21N3O5S/c1-11-7-8-13(18(20)21)9-14(11)17(24(2,22)23)10-15(19)16-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,16,19)
InChIKeyZXXPVISGIOSTOE-UHFFFAOYSA-N
XLogP1.73
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.73
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

1-ethylsulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 2204286
2-(azepan-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 2461963
N-(2-Methyl-5-nitro-phenyl)-2-(4-methyl-piperidin-1-yl)-acetamide
CID 783092
N-(2-methyl-5-nitrophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 970760
Cambridge id 7120444
CID 2174614
N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)-N~1~-(2-phenylethyl)glycinamide
CID 2176116
Cambridge id 7165229
CID 2928865
N~2~-(2-methyl-5-nitrophenyl)-N~2~-(methylsulfonyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2949107
N-Hydroxy-2-[methanesulfonyl-(4-nitro-benzyl)-amino]-acetamide
CID 10780743
N-Hydroxy-2-[methanesulfonyl-(2-nitro-benzyl)-amino]-propionamide
CID 44312098
2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 799278
N-(2-methyl-5-nitrophenyl)-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide
CID 1307382

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide (CID 2948835) is N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide is Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide?
The InChIKey is ZXXPVISGIOSTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-11-7-8-13(18(20)21)9-14(11)17(24(2,22)23)10-15(19)16-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,16,19).
What are the key properties of N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide?
N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide has a molecular weight of 355.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide is sourced from PubChem (CID 2948835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).