N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide

C16H21N3OS — CID 18085661

IUPACN-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
SMILESCCCn1ccnc1SCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-3-10-19-11-9-17-16(19)21-12-15(20)18-13(2)14-7-5-4-6-8-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,18,20)
InChIKeyKXTQBHAVUCSXSD-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.26
Rot. Bonds7

About N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide

N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide (PubChem CID 18085661) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
PubChem CID18085661
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
SMILESCCCn1ccnc1SCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-3-10-19-11-9-17-16(19)21-12-15(20)18-13(2)14-7-5-4-6-8-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,18,20)
InChIKeyKXTQBHAVUCSXSD-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791045
2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791044
2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 40636395
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529502
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 40529496
2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 44654357
2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7528566
N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897230
2-(1-methylimidazol-2-yl)sulfanyl-N-(1-naphthalen-1-ylethyl)acetamide
CID 46665664

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide (CID 18085661) is N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide is CCCn1ccnc1SCC(=O)NC(C)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The InChIKey is KXTQBHAVUCSXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-10-19-11-9-17-16(19)21-12-15(20)18-13(2)14-7-5-4-6-8-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,18,20).
What are the key properties of N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide has a molecular weight of 303.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 18085661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).