N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide

C20H25N3O5S — CID 55846935

IUPACN-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H25N3O5S/c1-4-28-18-8-6-5-7-17(18)20(25)22-14-19(24)21-13-15-9-11-16(12-10-15)29(26,27)23(2)3/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyPJCZWWMBCNGFHO-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.38
Rot. Bonds9

About N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide

N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 55846935) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide
PubChem CID55846935
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H25N3O5S/c1-4-28-18-8-6-5-7-17(18)20(25)22-14-19(24)21-13-15-9-11-16(12-10-15)29(26,27)23(2)3/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyPJCZWWMBCNGFHO-UHFFFAOYSA-N
XLogP1.38
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55845901
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 9314669
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55847321
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
2-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396087
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]boronic acid
CID 140927924
3-(dimethylsulfamoyl)-N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30873014
3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide
CID 47731816
4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 43948470
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide (CID 55846935) is N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is PJCZWWMBCNGFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-4-28-18-8-6-5-7-17(18)20(25)22-14-19(24)21-13-15-9-11-16(12-10-15)29(26,27)23(2)3/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide?
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 419.50 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 55846935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).