2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H22N4O6S — CID 4854756

IUPAC2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22N4O6S/c1-29-18-8-7-15(23(25)26)12-17(18)20-13-19(24)21-14-5-4-6-16(11-14)30(27,28)22-9-2-3-10-22/h4-8,11-12,20H,2-3,9-10,13H2,1H3,(H,21,24)
InChIKeyVZSZVPCWUWJPKY-UHFFFAOYSA-N
MW434.47 g/mol
LogP2.44
Rot. Bonds8

About 2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4854756) has the molecular formula C19H22N4O6S and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4854756
Molecular FormulaC19H22N4O6S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC Name2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22N4O6S/c1-29-18-8-7-15(23(25)26)12-17(18)20-13-19(24)21-14-5-4-6-16(11-14)30(27,28)22-9-2-3-10-22/h4-8,11-12,20H,2-3,9-10,13H2,1H3,(H,21,24)
InChIKeyVZSZVPCWUWJPKY-UHFFFAOYSA-N
XLogP2.44
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
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-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083438
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 42068320
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide
CID 5033110
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
2-[2-nitro-4-(trifluoromethyl)anilino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4884990
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 24510824
N-(2-methoxy-5-nitrophenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 23964509
N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dinitrobenzamide
CID 13098766
1-(4-nitrophenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 8002734
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 39753370
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 4-nitrobenzoate
CID 71904990

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4854756) is 2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is VZSZVPCWUWJPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6S/c1-29-18-8-7-15(23(25)26)12-17(18)20-13-19(24)21-14-5-4-6-16(11-14)30(27,28)22-9-2-3-10-22/h4-8,11-12,20H,2-3,9-10,13H2,1H3,(H,21,24).
What are the key properties of 2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 434.47 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4854756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).