N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide

C15H19N5O4S — CID 112522313

IUPACN-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)nn1
InChIInChI=1S/C15H19N5O4S/c1-3-14(21)17-13-9-20(19-18-13)10-15(22)16-8-11-4-6-12(7-5-11)25(2,23)24/h4-7,9H,3,8,10H2,1-2H3,(H,16,22)(H,17,21)
InChIKeyNNORGBYGCYEVNA-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.35
Rot. Bonds7

About N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide

N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112522313) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112522313
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC NameN-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)nn1
InChIInChI=1S/C15H19N5O4S/c1-3-14(21)17-13-9-20(19-18-13)10-15(22)16-8-11-4-6-12(7-5-11)25(2,23)24/h4-7,9H,3,8,10H2,1-2H3,(H,16,22)(H,17,21)
InChIKeyNNORGBYGCYEVNA-UHFFFAOYSA-N
XLogP0.35
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]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

methyl N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522309
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112522032
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112527931
2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 112528375
2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 112522307
N-[1-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112530014
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112522077
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide (CID 112522313) is N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)nn1.
What is the InChIKey of N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is NNORGBYGCYEVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-3-14(21)17-13-9-20(19-18-13)10-15(22)16-8-11-4-6-12(7-5-11)25(2,23)24/h4-7,9H,3,8,10H2,1-2H3,(H,16,22)(H,17,21).
What are the key properties of N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide?
N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 365.42 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112522313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).