2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C15H18N4OS — CID 50983422

IUPAC2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESCCc1nc(SCC(=O)N[C@@H]2C[C@H]2c2ccccc2)n[nH]1
InChIInChI=1S/C15H18N4OS/c1-2-13-17-15(19-18-13)21-9-14(20)16-12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,16,20)(H,17,18,19)/t11-,12+/m0/s1
InChIKeyADXCMHRDLVJWNR-NWDGAFQWSA-N
MW302.40 g/mol
LogP2.13
Rot. Bonds6

About 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 50983422) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID50983422
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESCCc1nc(SCC(=O)N[C@@H]2C[C@H]2c2ccccc2)n[nH]1
InChIInChI=1S/C15H18N4OS/c1-2-13-17-15(19-18-13)21-9-14(20)16-12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,16,20)(H,17,18,19)/t11-,12+/m0/s1
InChIKeyADXCMHRDLVJWNR-NWDGAFQWSA-N
XLogP2.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide with MolForge

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Related Compounds

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7028863
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 42118571
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)acetamide
CID 2981189
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91790883
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 51318109
3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 2048851
N-benzhydryl-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 30407365
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 33395570
N-(3-chlorophenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 969622
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 134038518
N-(3,4-dimethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2983550
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 799700

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 50983422) is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is CCc1nc(SCC(=O)N[C@@H]2C[C@H]2c2ccccc2)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is ADXCMHRDLVJWNR-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-13-17-15(19-18-13)21-9-14(20)16-12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,16,20)(H,17,18,19)/t11-,12+/m0/s1.
What are the key properties of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 50983422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).