2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

C22H32N4O3S — CID 167781077

IUPAC2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C22H32N4O3S/c1-16-8-13-20(30(28,29)25(5)6)14-21(16)23-22(27)17(2)26(7)15-18-9-11-19(12-10-18)24(3)4/h8-14,17H,15H2,1-7H3,(H,23,27)
InChIKeyQBCIKMUGIFJMRT-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.77
Rot. Bonds8

About 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (PubChem CID 167781077) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
PubChem CID167781077
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC Name2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C22H32N4O3S/c1-16-8-13-20(30(28,29)25(5)6)14-21(16)23-22(27)17(2)26(7)15-18-9-11-19(12-10-18)24(3)4/h8-14,17H,15H2,1-7H3,(H,23,27)
InChIKeyQBCIKMUGIFJMRT-UHFFFAOYSA-N
XLogP2.77
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]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

(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9389955
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517487
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
CID 61258908
(2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 9391020
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772
(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 26012390
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494910

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (CID 167781077) is 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)N(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The InChIKey is QBCIKMUGIFJMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-16-8-13-20(30(28,29)25(5)6)14-21(16)23-22(27)17(2)26(7)15-18-9-11-19(12-10-18)24(3)4/h8-14,17H,15H2,1-7H3,(H,23,27).
What are the key properties of 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide has a molecular weight of 432.59 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 167781077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).