2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide

C16H18N4O6S — CID 53280126

IUPAC2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C16H18N4O6S/c1-26-15-7-6-13(20(22)23)9-14(15)19(27(2,24)25)11-16(21)18-10-12-5-3-4-8-17-12/h3-9H,10-11H2,1-2H3,(H,18,21)
InChIKeyFMHHKOCMEGSVEP-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.08
Rot. Bonds8

About 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 53280126) has the molecular formula C16H18N4O6S and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID53280126
Molecular FormulaC16H18N4O6S
Molecular Weight394.41 g/mol
Exact Mass394.09
IUPAC Name2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C16H18N4O6S/c1-26-15-7-6-13(20(22)23)9-14(15)19(27(2,24)25)11-16(21)18-10-12-5-3-4-8-17-12/h3-9H,10-11H2,1-2H3,(H,18,21)
InChIKeyFMHHKOCMEGSVEP-UHFFFAOYSA-N
XLogP1.08
TPSA131.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-fluorophenyl)methyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 53280147
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-propan-2-ylacetamide
CID 5000921
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46771508
N-[(2S)-butan-2-yl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 124550853
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide
CID 2224817
N-benzyl-2-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzamide
CID 2301794
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 3271893
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methylphenyl)acetamide
CID 1266049
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 30247873
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30247726
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92686108

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 53280126) is 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is FMHHKOCMEGSVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6S/c1-26-15-7-6-13(20(22)23)9-14(15)19(27(2,24)25)11-16(21)18-10-12-5-3-4-8-17-12/h3-9H,10-11H2,1-2H3,(H,18,21).
What are the key properties of 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 394.41 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 53280126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).