(2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide

C19H19N5O2 — CID 97213174

IUPAC(2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1)n1cncn1
InChIInChI=1S/C19H19N5O2/c1-14(24-13-20-12-21-24)18(25)23-17(15-8-4-2-5-9-15)19(26)22-16-10-6-3-7-11-16/h2-14,17H,1H3,(H,22,26)(H,23,25)/t14-,17-/m0/s1
InChIKeyKHTLSRTYAPRTNZ-YOEHRIQHSA-N
MW349.39 g/mol
LogP2.34
Rot. Bonds6

About (2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 97213174) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID97213174
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1)n1cncn1
InChIInChI=1S/C19H19N5O2/c1-14(24-13-20-12-21-24)18(25)23-17(15-8-4-2-5-9-15)19(26)22-16-10-6-3-7-11-16/h2-14,17H,1H3,(H,22,26)(H,23,25)/t14-,17-/m0/s1
InChIKeyKHTLSRTYAPRTNZ-YOEHRIQHSA-N
XLogP2.34
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
2-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetic acid
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CID 78972744
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(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
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3-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 115339337
1-[(E)-3-phenylprop-2-enoyl]-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]piperidine-4-carboxamide
CID 43064665
N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide
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3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 97213174) is (2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@@H](C(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1)n1cncn1.
What is the InChIKey of (2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KHTLSRTYAPRTNZ-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-14(24-13-20-12-21-24)18(25)23-17(15-8-4-2-5-9-15)19(26)22-16-10-6-3-7-11-16/h2-14,17H,1H3,(H,22,26)(H,23,25)/t14-,17-/m0/s1.
What are the key properties of (2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 349.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 97213174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).