(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C18H24N4OS — CID 32547235

IUPAC(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC=CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc([C@H](C)CC)cc1
InChIInChI=1S/C18H24N4OS/c1-5-11-22-12-19-21-18(22)24-14(4)17(23)20-16-9-7-15(8-10-16)13(3)6-2/h5,7-10,12-14H,1,6,11H2,2-4H3,(H,20,23)/t13-,14+/m1/s1
InChIKeyOCEWYIHLCIYKNW-KGLIPLIRSA-N
MW344.48 g/mol
LogP4.10
Rot. Bonds8

About (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 32547235) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID32547235
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC=CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc([C@H](C)CC)cc1
InChIInChI=1S/C18H24N4OS/c1-5-11-22-12-19-21-18(22)24-14(4)17(23)20-16-9-7-15(8-10-16)13(3)6-2/h5,7-10,12-14H,1,6,11H2,2-4H3,(H,20,23)/t13-,14+/m1/s1
InChIKeyOCEWYIHLCIYKNW-KGLIPLIRSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-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

(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8739414
(2S)-N-(3-fluoro-4-methylphenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8739449
(2S)-N-(4-piperidin-1-ylsulfonylphenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 41155703
N-(ethylcarbamoyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 43030336
N-(4-butan-2-ylphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17136364
N-(4-butan-2-ylphenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4018968
(2S)-N-(3,5-dimethylphenyl)-2-phenyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8006384
(2R)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7168890
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27339380
4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide
CID 7352460
N-(4-butan-2-ylphenyl)-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4893326
(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8988160

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 32547235) is (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is C=CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc([C@H](C)CC)cc1.
What is the InChIKey of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is OCEWYIHLCIYKNW-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-5-11-22-12-19-21-18(22)24-14(4)17(23)20-16-9-7-15(8-10-16)13(3)6-2/h5,7-10,12-14H,1,6,11H2,2-4H3,(H,20,23)/t13-,14+/m1/s1.
What are the key properties of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 344.48 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 32547235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).