N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide

C18H21N3O6S — CID 46460655

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc(S(=O)(=O)NOC)cc2)cc1
InChIInChI=1S/C18H21N3O6S/c1-3-19-17(22)12-27-15-8-6-14(7-9-15)20-18(23)13-4-10-16(11-5-13)28(24,25)21-26-2/h4-11,21H,3,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyORSSYCXXBHSALI-UHFFFAOYSA-N
MW407.45 g/mol
LogP1.29
Rot. Bonds9

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide (PubChem CID 46460655) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide
PubChem CID46460655
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc(S(=O)(=O)NOC)cc2)cc1
InChIInChI=1S/C18H21N3O6S/c1-3-19-17(22)12-27-15-8-6-14(7-9-15)20-18(23)13-4-10-16(11-5-13)28(24,25)21-26-2/h4-11,21H,3,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyORSSYCXXBHSALI-UHFFFAOYSA-N
XLogP1.29
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide 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

4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 32940874
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-ethylacetamide
CID 4238795
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide
CID 55818884
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-ethyl-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 2223893
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
CID 33252679
5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
CID 30859946
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55587996
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30859962
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-propylbenzamide
CID 60584849

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide (CID 46460655) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide is CCNC(=O)COc1ccc(NC(=O)c2ccc(S(=O)(=O)NOC)cc2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide?
The InChIKey is ORSSYCXXBHSALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-3-19-17(22)12-27-15-8-6-14(7-9-15)20-18(23)13-4-10-16(11-5-13)28(24,25)21-26-2/h4-11,21H,3,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide has a molecular weight of 407.45 g/mol, XLogP of 1.29, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide is sourced from PubChem (CID 46460655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).