N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C28H31N3O3S — CID 3211058

IUPACN-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCC1)c1ccccc1)c1cccs1
InChIInChI=1S/C28H31N3O3S/c32-25(20-29-27(33)24-16-9-19-35-24)31(18-17-21-10-3-1-4-11-21)26(22-12-5-2-6-13-22)28(34)30-23-14-7-8-15-23/h1-6,9-13,16,19,23,26H,7-8,14-15,17-18,20H2,(H,29,33)(H,30,34)
InChIKeyMKOHYSPZCOZXTO-UHFFFAOYSA-N
MW489.64 g/mol
LogP4.35
Rot. Bonds10

About N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211058) has the molecular formula C28H31N3O3S and a molecular weight of 489.64 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211058
Molecular FormulaC28H31N3O3S
Molecular Weight489.64 g/mol
Exact Mass489.21
IUPAC NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCC1)c1ccccc1)c1cccs1
InChIInChI=1S/C28H31N3O3S/c32-25(20-29-27(33)24-16-9-19-35-24)31(18-17-21-10-3-1-4-11-21)26(22-12-5-2-6-13-22)28(34)30-23-14-7-8-15-23/h1-6,9-13,16,19,23,26H,7-8,14-15,17-18,20H2,(H,29,33)(H,30,34)
InChIKeyMKOHYSPZCOZXTO-UHFFFAOYSA-N
XLogP4.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211059
N-[2-oxo-2-[[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-(2-phenylethyl)amino]ethyl]thiophene-2-carboxamide
CID 25317215
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211431
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 651487
2-[(2-chloroacetyl)-(2-phenylethyl)amino]-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 4642658
N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210986
N-cyclopentyl-2-(4-methoxyphenyl)-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202722
N-[2-[benzyl-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 40786023
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
N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210990

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 3211058) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCC1)c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is MKOHYSPZCOZXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3S/c32-25(20-29-27(33)24-16-9-19-35-24)31(18-17-21-10-3-1-4-11-21)26(22-12-5-2-6-13-22)28(34)30-23-14-7-8-15-23/h1-6,9-13,16,19,23,26H,7-8,14-15,17-18,20H2,(H,29,33)(H,30,34).
What are the key properties of N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 489.64 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).