(2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide

C17H25N5OS — CID 7743330

IUPAC(2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide
SMILESCCCCc1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)n1N
InChIInChI=1S/C17H25N5OS/c1-5-6-7-15-20-21-17(22(15)18)24-13(4)16(23)19-14-9-8-11(2)10-12(14)3/h8-10,13H,5-7,18H2,1-4H3,(H,19,23)/t13-/m0/s1
InChIKeySRPAJQNFTQYSOF-ZDUSSCGKSA-N
MW347.49 g/mol
LogP3.07
Rot. Bonds7

About (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide

(2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 7743330) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide
PubChem CID7743330
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide
SMILESCCCCc1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)n1N
InChIInChI=1S/C17H25N5OS/c1-5-6-7-15-20-21-17(22(15)18)24-13(4)16(23)19-14-9-8-11(2)10-12(14)3/h8-10,13H,5-7,18H2,1-4H3,(H,19,23)/t13-/m0/s1
InChIKeySRPAJQNFTQYSOF-ZDUSSCGKSA-N
XLogP3.07
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)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

2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)propanamide
CID 24501526
2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)propanamide
CID 24501337
2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 20999977
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide
CID 7743321
(2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 7743486
N-(2,4-dimethylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 78685063
N-(2,4-dimethylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51236371
N-(2,4-dimethylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 51234651
(2R)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)propanamide
CID 9002720
(2S)-2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8959064
(2R)-2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8959065
(2S)-N-(2,4-dimethylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8937367

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide (CID 7743330) is (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide is CCCCc1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)n1N.
What is the InChIKey of (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is SRPAJQNFTQYSOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-5-6-7-15-20-21-17(22(15)18)24-13(4)16(23)19-14-9-8-11(2)10-12(14)3/h8-10,13H,5-7,18H2,1-4H3,(H,19,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide?
(2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 347.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 7743330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).