N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C27H27N3O3S — CID 3210608

IUPACN-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1cccs1
InChIInChI=1S/C27H27N3O3S/c31-26(29-21-8-2-1-3-9-21)25(20-12-13-23-19(17-20)7-4-14-28-23)30(18-22-10-5-15-33-22)27(32)24-11-6-16-34-24/h4-7,10-17,21,25H,1-3,8-9,18H2,(H,29,31)
InChIKeyKPUQNHFKPNFZIF-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.72
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 3210608) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID3210608
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1cccs1
InChIInChI=1S/C27H27N3O3S/c31-26(29-21-8-2-1-3-9-21)25(20-12-13-23-19(17-20)7-4-14-28-23)30(18-22-10-5-15-33-22)27(32)24-11-6-16-34-24/h4-7,10-17,21,25H,1-3,8-9,18H2,(H,29,31)
InChIKeyKPUQNHFKPNFZIF-UHFFFAOYSA-N
XLogP5.72
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 1435805
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 3191378
N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3190993
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202382
N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210963
N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide
CID 25409845
N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 1471472
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-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 3228313
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 3202369
N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196960
N-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
CID 649047

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 3210608) is N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is O=C(NC1CCCCC1)C(c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1cccs1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is KPUQNHFKPNFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c31-26(29-21-8-2-1-3-9-21)25(20-12-13-23-19(17-20)7-4-14-28-23)30(18-22-10-5-15-33-22)27(32)24-11-6-16-34-24/h4-7,10-17,21,25H,1-3,8-9,18H2,(H,29,31).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3210608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).