3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide

C23H26N4O3S — CID 50789150

IUPAC3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(-n3ccnc3SCC(=O)NC3CCCC3)c2)o1
InChIInChI=1S/C23H26N4O3S/c1-16-9-10-20(30-16)14-25-22(29)17-5-4-8-19(13-17)27-12-11-24-23(27)31-15-21(28)26-18-6-2-3-7-18/h4-5,8-13,18H,2-3,6-7,14-15H2,1H3,(H,25,29)(H,26,28)
InChIKeyRVEXJDXPHIIVLP-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.85
Rot. Bonds8

About 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide

3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 50789150) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID50789150
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(-n3ccnc3SCC(=O)NC3CCCC3)c2)o1
InChIInChI=1S/C23H26N4O3S/c1-16-9-10-20(30-16)14-25-22(29)17-5-4-8-19(13-17)27-12-11-24-23(27)31-15-21(28)26-18-6-2-3-7-18/h4-5,8-13,18H,2-3,6-7,14-15H2,1H3,(H,25,29)(H,26,28)
InChIKeyRVEXJDXPHIIVLP-UHFFFAOYSA-N
XLogP3.85
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylimidazol-1-yl]benzamide
CID 50789137
3-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 50789243
N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082336
3-[2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide
CID 46335268
N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 25475114
3-[2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 50789254
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 87037186
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-(furan-2-ylmethyl)-4-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082366
3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 50789150) is 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(-n3ccnc3SCC(=O)NC3CCCC3)c2)o1.
What is the InChIKey of 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is RVEXJDXPHIIVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16-9-10-20(30-16)14-25-22(29)17-5-4-8-19(13-17)27-12-11-24-23(27)31-15-21(28)26-18-6-2-3-7-18/h4-5,8-13,18H,2-3,6-7,14-15H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 50789150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).