N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C18H18N4O3S — CID 55618550

IUPACN-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)NC(C(N)=O)c2ccccc2)o1
InChIInChI=1S/C18H18N4O3S/c1-22-10-9-20-18(22)26-11-13-7-8-14(25-13)17(24)21-15(16(19)23)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H2,19,23)(H,21,24)
InChIKeyNLCZZJXJZLLMGN-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.26
Rot. Bonds7

About N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 55618550) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID55618550
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)NC(C(N)=O)c2ccccc2)o1
InChIInChI=1S/C18H18N4O3S/c1-22-10-9-20-18(22)26-11-13-7-8-14(25-13)17(24)21-15(16(19)23)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H2,19,23)(H,21,24)
InChIKeyNLCZZJXJZLLMGN-UHFFFAOYSA-N
XLogP2.26
TPSA103.15 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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 134062990
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119586050
N-(2-hydroxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888106
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95593404
N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55616635
N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119589563
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55618183
N-[(2R)-2-(ethylamino)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 120654118
N-(3,5-dimethoxyphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440333
N-(3,5-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440363
N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78861985

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 55618550) is N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is Cn1ccnc1SCc1ccc(C(=O)NC(C(N)=O)c2ccccc2)o1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is NLCZZJXJZLLMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-22-10-9-20-18(22)26-11-13-7-8-14(25-13)17(24)21-15(16(19)23)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H2,19,23)(H,21,24).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 55618550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).