N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide

C18H18N4O3S — CID 55775678

IUPACN-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide
SMILESCSc1nccn1-c1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H18N4O3S/c1-26-18-21-10-11-22(18)14-6-4-13(5-7-14)16(23)19-8-9-20-17(24)15-3-2-12-25-15/h2-7,10-12H,8-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyPIQDKSLJCRAQQE-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.35
Rot. Bonds7

About N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 55775678) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID55775678
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide
SMILESCSc1nccn1-c1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H18N4O3S/c1-26-18-21-10-11-22(18)14-6-4-13(5-7-14)16(23)19-8-9-20-17(24)15-3-2-12-25-15/h2-7,10-12H,8-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyPIQDKSLJCRAQQE-UHFFFAOYSA-N
XLogP2.35
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 78887793
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55868220
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
4-(2-methylsulfanylimidazol-1-yl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 78888342
N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylhexyl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 95787672
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-benzyl-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082231
4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 53082382
N-(furan-2-ylmethyl)-4-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082366
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide
CID 60604611
N-butyl-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082361

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide (CID 55775678) is N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide is CSc1nccn1-c1ccc(C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is PIQDKSLJCRAQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-26-18-21-10-11-22(18)14-6-4-13(5-7-14)16(23)19-8-9-20-17(24)15-3-2-12-25-15/h2-7,10-12H,8-9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 55775678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).