N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide

C23H24N4O3S2 — CID 3211015

IUPACN-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1cccs1)c1cccs1
InChIInChI=1S/C23H24N4O3S2/c28-20(15-25-22(29)19-10-5-13-32-19)27(17-8-3-11-24-14-17)21(18-9-4-12-31-18)23(30)26-16-6-1-2-7-16/h3-5,8-14,16,21H,1-2,6-7,15H2,(H,25,29)(H,26,30)
InChIKeyAOKHZMYRWIJRNG-UHFFFAOYSA-N
MW468.60 g/mol
LogP3.77
Rot. Bonds8

About N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211015) has the molecular formula C23H24N4O3S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211015
Molecular FormulaC23H24N4O3S2
Molecular Weight468.60 g/mol
Exact Mass468.13
IUPAC NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1cccs1)c1cccs1
InChIInChI=1S/C23H24N4O3S2/c28-20(15-25-22(29)19-10-5-13-32-19)27(17-8-3-11-24-14-17)21(18-9-4-12-31-18)23(30)26-16-6-1-2-7-16/h3-5,8-14,16,21H,1-2,6-7,15H2,(H,25,29)(H,26,30)
InChIKeyAOKHZMYRWIJRNG-UHFFFAOYSA-N
XLogP3.77
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 3211015) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1cccs1)c1cccs1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is AOKHZMYRWIJRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S2/c28-20(15-25-22(29)19-10-5-13-32-19)27(17-8-3-11-24-14-17)21(18-9-4-12-31-18)23(30)26-16-6-1-2-7-16/h3-5,8-14,16,21H,1-2,6-7,15H2,(H,25,29)(H,26,30).
What are the key properties of N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).