3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide

C16H26N4O4S — CID 55911573

IUPAC3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCCCN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)N(C)C
InChIInChI=1S/C16H26N4O4S/c1-4-10-20(12-16(22)19(2)3)11-9-15(21)18-13-5-7-14(8-6-13)25(17,23)24/h5-8H,4,9-12H2,1-3H3,(H,18,21)(H2,17,23,24)
InChIKeyVYPLUUJOJXHCRM-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.46
Rot. Bonds9

About 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide

3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 55911573) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID55911573
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCCCN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)N(C)C
InChIInChI=1S/C16H26N4O4S/c1-4-10-20(12-16(22)19(2)3)11-9-15(21)18-13-5-7-14(8-6-13)25(17,23)24/h5-8H,4,9-12H2,1-3H3,(H,18,21)(H2,17,23,24)
InChIKeyVYPLUUJOJXHCRM-UHFFFAOYSA-N
XLogP0.46
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide 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-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid
CID 101102311
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374573
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
2-[2-[carboxymethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]acetic acid;zinc
CID 56659116
3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 55362471
3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 24681104
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
CID 108508773

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide (CID 55911573) is 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide is CCCN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)N(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is VYPLUUJOJXHCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-4-10-20(12-16(22)19(2)3)11-9-15(21)18-13-5-7-14(8-6-13)25(17,23)24/h5-8H,4,9-12H2,1-3H3,(H,18,21)(H2,17,23,24).
What are the key properties of 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide?
3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 370.48 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 55911573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).