N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide

C27H33N3O4S2 — CID 3174519

IUPACN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(Cc1cccs1)C(=O)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C27H33N3O4S2/c31-26(28-20-6-2-1-3-7-20)25(24-9-5-17-36-24)30(19-22-8-4-16-35-22)27(32)23-11-10-21(34-23)18-29-12-14-33-15-13-29/h4-5,8-11,16-17,20,25H,1-3,6-7,12-15,18-19H2,(H,28,31)
InChIKeyFRFOHTUUORKWQE-UHFFFAOYSA-N
MW527.71 g/mol
LogP5.07
Rot. Bonds9

About N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 3174519) has the molecular formula C27H33N3O4S2 and a molecular weight of 527.71 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID3174519
Molecular FormulaC27H33N3O4S2
Molecular Weight527.71 g/mol
Exact Mass527.19
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(Cc1cccs1)C(=O)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C27H33N3O4S2/c31-26(28-20-6-2-1-3-7-20)25(24-9-5-17-36-24)30(19-22-8-4-16-35-22)27(32)23-11-10-21(34-23)18-29-12-14-33-15-13-29/h4-5,8-11,16-17,20,25H,1-3,6-7,12-15,18-19H2,(H,28,31)
InChIKeyFRFOHTUUORKWQE-UHFFFAOYSA-N
XLogP5.07
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 3174511
N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 1142313
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 3666354
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 1142293
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1083930
N-benzyl-N-[(1S)-2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 98097292
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-morpholin-4-ylpropyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 1142342
N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196960
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 3202369
N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 1471472
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 3202367
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3369379

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 3174519) is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide is O=C(NC1CCCCC1)C(c1cccs1)N(Cc1cccs1)C(=O)c1ccc(CN2CCOCC2)o1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is FRFOHTUUORKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4S2/c31-26(28-20-6-2-1-3-7-20)25(24-9-5-17-36-24)30(19-22-8-4-16-35-22)27(32)23-11-10-21(34-23)18-29-12-14-33-15-13-29/h4-5,8-11,16-17,20,25H,1-3,6-7,12-15,18-19H2,(H,28,31).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 527.71 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3174519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).