N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide

C27H31N3O4S — CID 3211786

IUPACN-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C27H31N3O4S/c1-19-11-13-20(14-12-19)25(27(33)29-21-7-3-2-4-8-21)30(18-22-9-6-16-35-22)24(31)17-28-26(32)23-10-5-15-34-23/h5-6,9-16,21,25H,2-4,7-8,17-18H2,1H3,(H,28,32)(H,29,33)
InChIKeyTYAWRMTVIPGWRF-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.60
Rot. Bonds9

About N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211786) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID3211786
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC NameN-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C27H31N3O4S/c1-19-11-13-20(14-12-19)25(27(33)29-21-7-3-2-4-8-21)30(18-22-9-6-16-35-22)24(31)17-28-26(32)23-10-5-15-34-23/h5-6,9-16,21,25H,2-4,7-8,17-18H2,1H3,(H,28,32)(H,29,33)
InChIKeyTYAWRMTVIPGWRF-UHFFFAOYSA-N
XLogP4.60
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211640
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211419
N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196960
N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211555
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211768
N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 1471472
N-[2-[[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211562
N-[2-[benzyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 40836398
N-[2-[[2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3215338
N-[2-[benzyl-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211699
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211431
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211839

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 3211786) is N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is TYAWRMTVIPGWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-19-11-13-20(14-12-19)25(27(33)29-21-7-3-2-4-8-21)30(18-22-9-6-16-35-22)24(31)17-28-26(32)23-10-5-15-34-23/h5-6,9-16,21,25H,2-4,7-8,17-18H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).