N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C24H26N2O5S — CID 55745988

IUPACN-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2ccc(NC(=O)c3ccco3)s2)ccc1OC1CCCC1
InChIInChI=1S/C24H26N2O5S/c1-15(16-9-10-18(20(14-16)29-2)31-17-6-3-4-7-17)25-24(28)21-11-12-22(32-21)26-23(27)19-8-5-13-30-19/h5,8-15,17H,3-4,6-7H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyLQOYSBFPSFTCGK-UHFFFAOYSA-N
MW454.55 g/mol
LogP5.41
Rot. Bonds8

About N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55745988) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55745988
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2ccc(NC(=O)c3ccco3)s2)ccc1OC1CCCC1
InChIInChI=1S/C24H26N2O5S/c1-15(16-9-10-18(20(14-16)29-2)31-17-6-3-4-7-17)25-24(28)21-11-12-22(32-21)26-23(27)19-8-5-13-30-19/h5,8-15,17H,3-4,6-7H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyLQOYSBFPSFTCGK-UHFFFAOYSA-N
XLogP5.41
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347
N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330571
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide
CID 55780983
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31309961
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 18200791
N-[5-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46420472
N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 17468523
N-[5-[1-(2-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330570
N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31310103
5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684986
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 55745736
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55745988) is N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is COc1cc(C(C)NC(=O)c2ccc(NC(=O)c3ccco3)s2)ccc1OC1CCCC1.
What is the InChIKey of N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is LQOYSBFPSFTCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-15(16-9-10-18(20(14-16)29-2)31-17-6-3-4-7-17)25-24(28)21-11-12-22(32-21)26-23(27)19-8-5-13-30-19/h5,8-15,17H,3-4,6-7H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55745988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).