N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide

C23H30N2O3S — CID 3236839

IUPACN-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C23H30N2O3S/c26-21(16-20-11-7-15-29-20)25(17-19-10-6-14-28-19)23(12-4-1-5-13-23)22(27)24-18-8-2-3-9-18/h6-7,10-11,14-15,18H,1-5,8-9,12-13,16-17H2,(H,24,27)
InChIKeyUUHRQMIROMBFPS-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.67
Rot. Bonds7

About N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide

N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide (PubChem CID 3236839) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
PubChem CID3236839
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C23H30N2O3S/c26-21(16-20-11-7-15-29-20)25(17-19-10-6-14-28-19)23(12-4-1-5-13-23)22(27)24-18-8-2-3-9-18/h6-7,10-11,14-15,18H,1-5,8-9,12-13,16-17H2,(H,24,27)
InChIKeyUUHRQMIROMBFPS-UHFFFAOYSA-N
XLogP4.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
4-[(1-{[2-Oxo-2-(thiophen-3-yl)ethyl]amino}cyclopentyl)methoxy]benzamide
CID 16725905
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 16293454
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2168157
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 648156
N-Furan-2-ylmethyl-2-[phenyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-2-yl-acetamide
CID 649429

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide (CID 3236839) is N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide is O=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The InChIKey is UUHRQMIROMBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c26-21(16-20-11-7-15-29-20)25(17-19-10-6-14-28-19)23(12-4-1-5-13-23)22(27)24-18-8-2-3-9-18/h6-7,10-11,14-15,18H,1-5,8-9,12-13,16-17H2,(H,24,27).
What are the key properties of N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 3236839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).