3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide

C16H16N2O6S — CID 4307145

IUPAC3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H16N2O6S/c1-24-14-5-7-15(8-6-14)25(22,23)10-9-16(19)17-12-3-2-4-13(11-12)18(20)21/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyLLRPBKNUOOSESV-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.41
Rot. Bonds7

About 3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide

3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide (PubChem CID 4307145) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
PubChem CID4307145
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H16N2O6S/c1-24-14-5-7-15(8-6-14)25(22,23)10-9-16(19)17-12-3-2-4-13(11-12)18(20)21/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyLLRPBKNUOOSESV-UHFFFAOYSA-N
XLogP2.41
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
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

N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 78840441
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
3-(4-methoxyphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 41323629
2-[(4-methoxyphenyl)methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]-N-(3-nitrophenyl)acetamide
CID 3933915
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide
CID 7543832
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(3-nitrophenyl)propanamide
CID 92648031
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide (CID 4307145) is 3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide?
The InChIKey is LLRPBKNUOOSESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-24-14-5-7-15(8-6-14)25(22,23)10-9-16(19)17-12-3-2-4-13(11-12)18(20)21/h2-8,11H,9-10H2,1H3,(H,17,19).
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide?
3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide has a molecular weight of 364.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 4307145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).