N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide

C16H18N4O5S — CID 2952108

IUPACN-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H18N4O5S/c1-12(21)19-13-6-8-14(9-7-13)26(24,25)18-11-10-17-15-4-2-3-5-16(15)20(22)23/h2-9,17-18H,10-11H2,1H3,(H,19,21)
InChIKeyRZVYXNHHSWTJSC-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.94
Rot. Bonds8

About N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide (PubChem CID 2952108) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide
PubChem CID2952108
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC NameN-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H18N4O5S/c1-12(21)19-13-6-8-14(9-7-13)26(24,25)18-11-10-17-15-4-2-3-5-16(15)20(22)23/h2-9,17-18H,10-11H2,1H3,(H,19,21)
InChIKeyRZVYXNHHSWTJSC-UHFFFAOYSA-N
XLogP1.94
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[2-(2-nitroanilino)ethyl]benzenesulfonamide
CID 9031176
N-[4-[2-(2-chloro-4-nitroanilino)ethylsulfamoyl]phenyl]acetamide
CID 2919957
N-[4-[3-(2-chloro-6-nitroanilino)propylsulfamoyl]phenyl]acetamide
CID 4317028
N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2187430
2,5-dichloro-N-[2-(2-nitroanilino)ethyl]benzenesulfonamide
CID 9031200
2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 1309880
2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide
CID 17319807
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278844
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide
CID 110408312
2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4943654

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide (CID 2952108) is N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is RZVYXNHHSWTJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-12(21)19-13-6-8-14(9-7-13)26(24,25)18-11-10-17-15-4-2-3-5-16(15)20(22)23/h2-9,17-18H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 378.41 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2952108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).