N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C22H23N3O2S — CID 55561733

IUPACN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)N(Cc1ccco1)C1=CCCCC1
InChIInChI=1S/C22H23N3O2S/c26-21(16-28-22-23-14-20(24-22)17-8-3-1-4-9-17)25(15-19-12-7-13-27-19)18-10-5-2-6-11-18/h1,3-4,7-10,12-14H,2,5-6,11,15-16H2,(H,23,24)
InChIKeyMQTMDYQHOZZYMG-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.25
Rot. Bonds7

About N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 55561733) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID55561733
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)N(Cc1ccco1)C1=CCCCC1
InChIInChI=1S/C22H23N3O2S/c26-21(16-28-22-23-14-20(24-22)17-8-3-1-4-9-17)25(15-19-12-7-13-27-19)18-10-5-2-6-11-18/h1,3-4,7-10,12-14H,2,5-6,11,15-16H2,(H,23,24)
InChIKeyMQTMDYQHOZZYMG-UHFFFAOYSA-N
XLogP5.25
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60561758
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55378785
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 55379270
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 7628963
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55379250
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 51473317
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41488663
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7874481
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 37285451
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 17454394
N-(cyclohexen-1-yl)-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 37060492
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 51481266

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 55561733) is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is O=C(CSc1ncc(-c2ccccc2)[nH]1)N(Cc1ccco1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is MQTMDYQHOZZYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-21(16-28-22-23-14-20(24-22)17-8-3-1-4-9-17)25(15-19-12-7-13-27-19)18-10-5-2-6-11-18/h1,3-4,7-10,12-14H,2,5-6,11,15-16H2,(H,23,24).
What are the key properties of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 55561733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).