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

C18H26N4O2S — CID 119589563

IUPACN-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)NC(CN)C2CCCCC2)o1
InChIInChI=1S/C18H26N4O2S/c1-22-10-9-20-18(22)25-12-14-7-8-16(24-14)17(23)21-15(11-19)13-5-3-2-4-6-13/h7-10,13,15H,2-6,11-12,19H2,1H3,(H,21,23)
InChIKeyKGPSQHVNIWDMCX-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.94
Rot. Bonds7

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

N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 119589563) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID119589563
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)NC(CN)C2CCCCC2)o1
InChIInChI=1S/C18H26N4O2S/c1-22-10-9-20-18(22)25-12-14-7-8-16(24-14)17(23)21-15(11-19)13-5-3-2-4-6-13/h7-10,13,15H,2-6,11-12,19H2,1H3,(H,21,23)
InChIKeyKGPSQHVNIWDMCX-UHFFFAOYSA-N
XLogP2.94
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 119589563) is N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is Cn1ccnc1SCc1ccc(C(=O)NC(CN)C2CCCCC2)o1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is KGPSQHVNIWDMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-22-10-9-20-18(22)25-12-14-7-8-16(24-14)17(23)21-15(11-19)13-5-3-2-4-6-13/h7-10,13,15H,2-6,11-12,19H2,1H3,(H,21,23).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 119589563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).