N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

C18H26N4OS — CID 129416206

IUPACN-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)N[C@H](Cn2nccn2)C(C)C)cc1
InChIInChI=1S/C18H26N4OS/c1-13(2)17(12-22-19-9-10-20-22)21-18(23)11-15-5-7-16(8-6-15)24-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3,(H,21,23)/t17-/m1/s1
InChIKeyAHKJBMVKDNOVCM-QGZVFWFLSA-N
MW346.50 g/mol
LogP3.16
Rot. Bonds8

About N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 129416206) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID129416206
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)N[C@H](Cn2nccn2)C(C)C)cc1
InChIInChI=1S/C18H26N4OS/c1-13(2)17(12-22-19-9-10-20-22)21-18(23)11-15-5-7-16(8-6-15)24-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3,(H,21,23)/t17-/m1/s1
InChIKeyAHKJBMVKDNOVCM-QGZVFWFLSA-N
XLogP3.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 129416206) is N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)N[C@H](Cn2nccn2)C(C)C)cc1.
What is the InChIKey of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is AHKJBMVKDNOVCM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13(2)17(12-22-19-9-10-20-22)21-18(23)11-15-5-7-16(8-6-15)24-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 346.50 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 129416206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).