N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide

C25H28N2O4S — CID 3202382

IUPACN-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C25H28N2O4S/c1-30-20-12-6-5-9-18(20)17-27(25(29)22-14-8-16-32-22)23(21-13-7-15-31-21)24(28)26-19-10-3-2-4-11-19/h5-9,12-16,19,23H,2-4,10-11,17H2,1H3,(H,26,28)
InChIKeyBRRYYOLSSBLJBY-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.18
Rot. Bonds8

About N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide

N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 3202382) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID3202382
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C25H28N2O4S/c1-30-20-12-6-5-9-18(20)17-27(25(29)22-14-8-16-32-22)23(21-13-7-15-31-21)24(28)26-19-10-3-2-4-11-19/h5-9,12-16,19,23H,2-4,10-11,17H2,1H3,(H,26,28)
InChIKeyBRRYYOLSSBLJBY-UHFFFAOYSA-N
XLogP5.18
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 23727995
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202397
N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 1435805
N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 25311325
N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210990
N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184904
N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3202578
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 3202367
(2S)-N-cyclohexyl-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 25309613
methyl 4-[2-(cyclohexylamino)-1-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-oxoethyl]benzoate
CID 3191164
N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210986
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3196481

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 3202382) is N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccccc1CN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccco1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is BRRYYOLSSBLJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-30-20-12-6-5-9-18(20)17-27(25(29)22-14-8-16-32-22)23(21-13-7-15-31-21)24(28)26-19-10-3-2-4-11-19/h5-9,12-16,19,23H,2-4,10-11,17H2,1H3,(H,26,28).
What are the key properties of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 3202382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).