N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C20H23N5O3S2 — CID 16604498

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)Sc1ncn(-c2ccccc2)n1
InChIInChI=1S/C20H23N5O3S2/c1-14-10-11-17(30(27,28)24(3)4)12-18(14)22-19(26)15(2)29-20-21-13-25(23-20)16-8-6-5-7-9-16/h5-13,15H,1-4H3,(H,22,26)
InChIKeyBMGBETYUFVABFD-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.95
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 16604498) has the molecular formula C20H23N5O3S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID16604498
Molecular FormulaC20H23N5O3S2
Molecular Weight445.57 g/mol
Exact Mass445.12
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)Sc1ncn(-c2ccccc2)n1
InChIInChI=1S/C20H23N5O3S2/c1-14-10-11-17(30(27,28)24(3)4)12-18(14)22-19(26)15(2)29-20-21-13-25(23-20)16-8-6-5-7-9-16/h5-13,15H,1-4H3,(H,22,26)
InChIKeyBMGBETYUFVABFD-UHFFFAOYSA-N
XLogP2.95
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]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-(2,3-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 86919460
N-(2-nitrophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46508122
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 18291422
(2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 25390631
(2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 25330741
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 41216514
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 42886823
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 26244337
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-methyl-N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 18134411
N-carbamoyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16587163
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 16604498) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)Sc1ncn(-c2ccccc2)n1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is BMGBETYUFVABFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S2/c1-14-10-11-17(30(27,28)24(3)4)12-18(14)22-19(26)15(2)29-20-21-13-25(23-20)16-8-6-5-7-9-16/h5-13,15H,1-4H3,(H,22,26).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 445.57 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 16604498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).