2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C16H17N3O5S — CID 1346069

IUPAC2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O5S/c17-25(23,24)15-7-3-12(4-8-15)9-10-18-16(20)11-13-1-5-14(6-2-13)19(21)22/h1-8H,9-11H2,(H,18,20)(H2,17,23,24)
InChIKeyUXTYHDNQMFWOPT-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.14
Rot. Bonds7

About 2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 1346069) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID1346069
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O5S/c17-25(23,24)15-7-3-12(4-8-15)9-10-18-16(20)11-13-1-5-14(6-2-13)19(21)22/h1-8H,9-11H2,(H,18,20)(H2,17,23,24)
InChIKeyUXTYHDNQMFWOPT-UHFFFAOYSA-N
XLogP1.14
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
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-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
4-methyl-N-(2-{[(2-nitrophenyl)sulfonyl]amino}ethyl)benzamide
CID 2288845
N-(1-Methyl-2-phenyl-ethyl)-2-(4-nitro-phenyl)-acetamide
CID 3104541
N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
CID 11430672
4-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-butyramide
CID 18618646
1,2,3,4-Tetrahydro-2-naphthalencarboxylic acid[6-(2-nitrobenzenesulfonylamino)-hexyl]-amide
CID 22462213
4-nitro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431445
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-nitro-benzamide
CID 130431501
N-(4-methylphenyl)-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 1008120
4-Nitro-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-benzamide
CID 1011654
1-[4-(4-Nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 1151501
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide
CID 1211169

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 1346069) is 2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is UXTYHDNQMFWOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c17-25(23,24)15-7-3-12(4-8-15)9-10-18-16(20)11-13-1-5-14(6-2-13)19(21)22/h1-8H,9-11H2,(H,18,20)(H2,17,23,24).
What are the key properties of 2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 363.40 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 1346069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).