4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide

C15H19N5O2S — CID 7352460

IUPAC4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide
SMILESCC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H19N5O2S/c1-9(2)20-8-17-19-15(20)23-10(3)14(22)18-12-6-4-11(5-7-12)13(16)21/h4-10H,1-3H3,(H2,16,21)(H,18,22)/t10-/m1/s1
InChIKeyBILJJJRCEUZNAK-SNVBAGLBSA-N
MW333.42 g/mol
LogP2.08
Rot. Bonds6

About 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide

4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide (PubChem CID 7352460) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide
PubChem CID7352460
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide
SMILESCC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H19N5O2S/c1-9(2)20-8-17-19-15(20)23-10(3)14(22)18-12-6-4-11(5-7-12)13(16)21/h4-10H,1-3H3,(H2,16,21)(H,18,22)/t10-/m1/s1
InChIKeyBILJJJRCEUZNAK-SNVBAGLBSA-N
XLogP2.08
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide with MolForge

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7352391
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8894735
4-[[(2S)-2-(1-methylimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 40608634
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide
CID 7743454
4-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 42985932
(2R)-N-(4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2513738
(2R)-N-(2-methoxyphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7675647
4-[[(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]amino]benzamide
CID 8980730
N-(4-iodophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46526064
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide
CID 46811640
4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 7171444

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide (CID 7352460) is 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide is CC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide?
The InChIKey is BILJJJRCEUZNAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-9(2)20-8-17-19-15(20)23-10(3)14(22)18-12-6-4-11(5-7-12)13(16)21/h4-10H,1-3H3,(H2,16,21)(H,18,22)/t10-/m1/s1.
What are the key properties of 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide?
4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide has a molecular weight of 333.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide is sourced from PubChem (CID 7352460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).