N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide

C30H25N3O3S — CID 167098838

IUPACN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
SMILESC[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2cccs2)cc1)c1ccccc1
InChIInChI=1S/C30H25N3O3S/c1-21(22-8-3-2-4-9-22)32-29(34)28(24-10-5-17-31-20-24)33(30(35)26-11-6-18-36-26)25-15-13-23(14-16-25)27-12-7-19-37-27/h2-21,28H,1H3,(H,32,34)/t21-,28?/m0/s1
InChIKeyNJXPUSRCRCOWEQ-QDLLFRBVSA-N
MW507.62 g/mol
LogP6.67
Rot. Bonds8

About N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide (PubChem CID 167098838) has the molecular formula C30H25N3O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
PubChem CID167098838
Molecular FormulaC30H25N3O3S
Molecular Weight507.62 g/mol
Exact Mass507.16
IUPAC NameN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
SMILESC[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2cccs2)cc1)c1ccccc1
InChIInChI=1S/C30H25N3O3S/c1-21(22-8-3-2-4-9-22)32-29(34)28(24-10-5-17-31-20-24)33(30(35)26-11-6-18-36-26)25-15-13-23(14-16-25)27-12-7-19-37-27/h2-21,28H,1H3,(H,32,34)/t21-,28?/m0/s1
InChIKeyNJXPUSRCRCOWEQ-QDLLFRBVSA-N
XLogP6.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.62
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
MAT-POS-f2460aef-1
CID 154878526
ALP-POS-02c6a514-44
CID 156906921
ALP-POS-b0bc6a46-5
CID 156906936
LON-WEI-2e27a2e5-1
CID 156907122
ALP-POS-02c6a514-57
CID 156906932
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 156893039
N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 163391804
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 167098835

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide (CID 167098838) is N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide is C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2cccs2)cc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide?
The InChIKey is NJXPUSRCRCOWEQ-QDLLFRBVSA-N. The full InChI is InChI=1S/C30H25N3O3S/c1-21(22-8-3-2-4-9-22)32-29(34)28(24-10-5-17-31-20-24)33(30(35)26-11-6-18-36-26)25-15-13-23(14-16-25)27-12-7-19-37-27/h2-21,28H,1H3,(H,32,34)/t21-,28?/m0/s1.
What are the key properties of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide?
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide has a molecular weight of 507.62 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 167098838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).