N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C24H27N3O5S — CID 3210963

IUPACN-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2cccs2)o1
InChIInChI=1S/C24H27N3O5S/c1-16-10-11-19(32-16)22(24(30)26-17-6-2-3-7-17)27(15-18-8-4-12-31-18)21(28)14-25-23(29)20-9-5-13-33-20/h4-5,8-13,17,22H,2-3,6-7,14-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyWIPLPGWAXLJDBH-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.80
Rot. Bonds9

About N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3210963) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3210963
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2cccs2)o1
InChIInChI=1S/C24H27N3O5S/c1-16-10-11-19(32-16)22(24(30)26-17-6-2-3-7-17)27(15-18-8-4-12-31-18)21(28)14-25-23(29)20-9-5-13-33-20/h4-5,8-13,17,22H,2-3,6-7,14-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyWIPLPGWAXLJDBH-UHFFFAOYSA-N
XLogP3.80
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210990
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211419
N-[2-[benzyl-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211699
N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210986
N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3210955
N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211192
N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211555
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202445
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211768
N-[2-[[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211562
N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3188472
N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211786

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 3210963) is N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2cccs2)o1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WIPLPGWAXLJDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16-10-11-19(32-16)22(24(30)26-17-6-2-3-7-17)27(15-18-8-4-12-31-18)21(28)14-25-23(29)20-9-5-13-33-20/h4-5,8-13,17,22H,2-3,6-7,14-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3210963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).