N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

C18H21N3O5S — CID 2252291

IUPACN-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESCC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O5S/c1-14(2)12-19-18(22)13-20(15-8-4-3-5-9-15)27(25,26)17-11-7-6-10-16(17)21(23)24/h3-11,14H,12-13H2,1-2H3,(H,19,22)
InChIKeyDPDWFDZECYOKMT-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.56
Rot. Bonds8

About N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 2252291) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
PubChem CID2252291
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESCC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O5S/c1-14(2)12-19-18(22)13-20(15-8-4-3-5-9-15)27(25,26)17-11-7-6-10-16(17)21(23)24/h3-11,14H,12-13H2,1-2H3,(H,19,22)
InChIKeyDPDWFDZECYOKMT-UHFFFAOYSA-N
XLogP2.56
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (CID 2252291) is N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is CC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is DPDWFDZECYOKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-14(2)12-19-18(22)13-20(15-8-4-3-5-9-15)27(25,26)17-11-7-6-10-16(17)21(23)24/h3-11,14H,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 391.45 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 2252291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).