N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide

C24H24N2O5S — CID 644807

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(C(=O)c1ccco1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H24N2O5S/c27-23(25-16-5-1-2-6-16)22(21-8-4-14-32-21)26(24(28)19-7-3-11-29-19)17-9-10-18-20(15-17)31-13-12-30-18/h3-4,7-11,14-16,22H,1-2,5-6,12-13H2,(H,25,27)
InChIKeyRKJCMXIXRXUOMK-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.56
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (PubChem CID 644807) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
PubChem CID644807
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(C(=O)c1ccco1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H24N2O5S/c27-23(25-16-5-1-2-6-16)22(21-8-4-14-32-21)26(24(28)19-7-3-11-29-19)17-9-10-18-20(15-17)31-13-12-30-18/h3-4,7-11,14-16,22H,1-2,5-6,12-13H2,(H,25,27)
InChIKeyRKJCMXIXRXUOMK-UHFFFAOYSA-N
XLogP4.56
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (CID 644807) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is O=C(NC1CCCC1)C(c1cccs1)N(C(=O)c1ccco1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The InChIKey is RKJCMXIXRXUOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c27-23(25-16-5-1-2-6-16)22(21-8-4-14-32-21)26(24(28)19-7-3-11-29-19)17-9-10-18-20(15-17)31-13-12-30-18/h3-4,7-11,14-16,22H,1-2,5-6,12-13H2,(H,25,27).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 644807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).