N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

C18H21N3O5S — CID 30173681

IUPACN,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O5S/c1-3-19(4-2)18(22)14-20(15-10-6-5-7-11-15)27(25,26)17-13-9-8-12-16(17)21(23)24/h5-13H,3-4,14H2,1-2H3
InChIKeyWGKUMOKVUKFNAW-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.66
Rot. Bonds8

About N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 30173681) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
PubChem CID30173681
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O5S/c1-3-19(4-2)18(22)14-20(15-10-6-5-7-11-15)27(25,26)17-13-9-8-12-16(17)21(23)24/h5-13H,3-4,14H2,1-2H3
InChIKeyWGKUMOKVUKFNAW-UHFFFAOYSA-N
XLogP2.66
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
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-benzyl-N-methyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173687
2-nitro-N-phenyl-N-propylbenzenesulfonamide
CID 167167551
ethyl 2-(3-methyl-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50889932
N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2209477
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 28588758
2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1319342
N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2854777
4-[(Z)-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 28588777
2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 50890619
3-(4-methyl-N-(2-nitrophenyl)sulfonylanilino)propanoic acid
CID 50889885
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889864
N-[1-(3-bromophenyl)ethylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 4666294

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (CID 30173681) is N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is CCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is WGKUMOKVUKFNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-3-19(4-2)18(22)14-20(15-10-6-5-7-11-15)27(25,26)17-13-9-8-12-16(17)21(23)24/h5-13H,3-4,14H2,1-2H3.
What are the key properties of N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 391.45 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30173681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).