N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C23H31N3O4S — CID 3210986

IUPACN-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)CCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccco1
InChIInChI=1S/C23H31N3O4S/c1-16(2)11-12-26(20(27)15-24-22(28)19-10-6-14-31-19)21(18-9-5-13-30-18)23(29)25-17-7-3-4-8-17/h5-6,9-10,13-14,16-17,21H,3-4,7-8,11-12,15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyPDULPSOYGVOUDR-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.75
Rot. Bonds10

About N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3210986) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3210986
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)CCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccco1
InChIInChI=1S/C23H31N3O4S/c1-16(2)11-12-26(20(27)15-24-22(28)19-10-6-14-31-19)21(18-9-5-13-30-18)23(29)25-17-7-3-4-8-17/h5-6,9-10,13-14,16-17,21H,3-4,7-8,11-12,15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyPDULPSOYGVOUDR-UHFFFAOYSA-N
XLogP3.75
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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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)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210963
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211058
N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 1435805
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211431
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202382
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211059
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211419
N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211786
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211129
N-[2-[[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211077

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 3210986) is N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide is CC(C)CCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccco1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is PDULPSOYGVOUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-16(2)11-12-26(20(27)15-24-22(28)19-10-6-14-31-19)21(18-9-5-13-30-18)23(29)25-17-7-3-4-8-17/h5-6,9-10,13-14,16-17,21H,3-4,7-8,11-12,15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3210986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).