N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride

C24H27ClN4O5S — CID 87471937

IUPACN-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCN(NC)C(=O)CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccccc2)c2ccccc2)cc1.Cl
InChIInChI=1S/C24H26N4O5S.ClH/c1-3-27(25-2)23(29)18-26-24(30)19-14-16-22(17-15-19)34(31,32)28(20-10-6-4-7-11-20)33-21-12-8-5-9-13-21;/h4-17,25H,3,18H2,1-2H3,(H,26,30);1H
InChIKeyDBMJCXVIUXRWCE-UHFFFAOYSA-N
MW519.02 g/mol
LogP3.01
Rot. Bonds10

About N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride

N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 87471937) has the molecular formula C24H27ClN4O5S and a molecular weight of 519.02 g/mol. Its IUPAC name is N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID87471937
Molecular FormulaC24H27ClN4O5S
Molecular Weight519.02 g/mol
Exact Mass518.14
IUPAC NameN-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCN(NC)C(=O)CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccccc2)c2ccccc2)cc1.Cl
InChIInChI=1S/C24H26N4O5S.ClH/c1-3-27(25-2)23(29)18-26-24(30)19-14-16-22(17-15-19)34(31,32)28(20-10-6-4-7-11-20)33-21-12-8-5-9-13-21;/h4-17,25H,3,18H2,1-2H3,(H,26,30);1H
InChIKeyDBMJCXVIUXRWCE-UHFFFAOYSA-N
XLogP3.01
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.02
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
CID 87473295
N-ethyl-N-[2-[[4-[phenoxy(phenyl)sulfamoyl]benzoyl]amino]acetyl]piperazin-1-amine oxide;hydrochloride
CID 87471127
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
CID 87472130
ethyl 2-[[4-[(2-chloro-4-fluorophenoxy)-phenylsulfamoyl]benzoyl]amino]acetate
CID 87471816
N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
CID 87471771
2-[[4-[(4-bromo-2-chlorophenoxy)-phenylsulfamoyl]benzoyl]amino]acetic acid
CID 87471293
4-[[3-(diethylamino)phenoxy]-phenylsulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide
CID 87486307
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903412
N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide
CID 91369414
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride (CID 87471937) is N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride is CCN(NC)C(=O)CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccccc2)c2ccccc2)cc1.Cl.
What is the InChIKey of N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is DBMJCXVIUXRWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S.ClH/c1-3-27(25-2)23(29)18-26-24(30)19-14-16-22(17-15-19)34(31,32)28(20-10-6-4-7-11-20)33-21-12-8-5-9-13-21;/h4-17,25H,3,18H2,1-2H3,(H,26,30);1H.
What are the key properties of N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride?
N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 519.02 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 87471937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).