N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

C18H21N3O6S — CID 55982640

IUPACN-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O6S/c1-13(2)27-17-9-5-15(6-10-17)20-28(25,26)12-18(22)19-11-14-3-7-16(8-4-14)21(23)24/h3-10,13,20H,11-12H2,1-2H3,(H,19,22)
InChIKeyVKZUXTJNFNTQNY-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.44
Rot. Bonds9

About N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (PubChem CID 55982640) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
PubChem CID55982640
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O6S/c1-13(2)27-17-9-5-15(6-10-17)20-28(25,26)12-18(22)19-11-14-3-7-16(8-4-14)21(23)24/h3-10,13,20H,11-12H2,1-2H3,(H,19,22)
InChIKeyVKZUXTJNFNTQNY-UHFFFAOYSA-N
XLogP2.44
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
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-(4-methylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55826239
2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92672267
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46771508
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55825597
3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid
CID 119212048
N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride
CID 119446567
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
N-(4-nitrophenyl)ethanesulfonamide
CID 521811
(4-nitrophenyl) N-[[4-[[(4-nitrophenoxy)carbonylamino]methyl]phenyl]methyl]carbamate
CID 57126958
N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
CID 2889588
2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 55973608

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The IUPAC name of N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (CID 55982640) is N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The canonical SMILES for N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The InChIKey is VKZUXTJNFNTQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-13(2)27-17-9-5-15(6-10-17)20-28(25,26)12-18(22)19-11-14-3-7-16(8-4-14)21(23)24/h3-10,13,20H,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide has a molecular weight of 407.45 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is sourced from PubChem (CID 55982640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).