N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide

C27H26N2O3S — CID 155932919

IUPACN-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](NC(=O)c2cccs2)[C@@H](C)[C@@H](NC(=O)c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C27H26N2O3S/c1-18-15-16-22(32-18)25(29-27(31)23-14-9-17-33-23)19(2)24(20-10-5-3-6-11-20)28-26(30)21-12-7-4-8-13-21/h3-17,19,24-25H,1-2H3,(H,28,30)(H,29,31)/t19-,24+,25-/m0/s1
InChIKeyVQMGUVZKXUZKBZ-OWAUWMPXSA-N
MW458.58 g/mol
LogP5.93
Rot. Bonds8

About N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide

N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide (PubChem CID 155932919) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
PubChem CID155932919
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC NameN-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](NC(=O)c2cccs2)[C@@H](C)[C@@H](NC(=O)c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C27H26N2O3S/c1-18-15-16-22(32-18)25(29-27(31)23-14-9-17-33-23)19(2)24(20-10-5-3-6-11-20)28-26(30)21-12-7-4-8-13-21/h3-17,19,24-25H,1-2H3,(H,28,30)(H,29,31)/t19-,24+,25-/m0/s1
InChIKeyVQMGUVZKXUZKBZ-OWAUWMPXSA-N
XLogP5.93
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-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

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 16293454
(3-Furan-2-yl-3-p-tolyl-propyl)-(1-thiophen-2-yl-ethyl)-amine
CID 3366871
N-(2-furanylmethyl)-5-methyl-4-phenyl-3-thiophenecarboxamide
CID 1245893
4-tert-Butyl-N-{(E)-1-[(furan-2-ylmethyl)-carbamoyl]-2-thiophen-2-yl-vinyl}-benzamide
CID 1894018
N-(3-((Furan-2-ylmethyl)amino)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)-4-methylbenzamide
CID 2179984
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-phenyl-acetamide
CID 3202885
N-(4-Methoxy-benzyl)-2-(5-methyl-furan-2-yl)-2-[(2-thiophen-2-yl-acetyl)-thiophen-2-ylmethyl-amino]-acetamide
CID 3210861
2-[Benzyl-(2-thiophen-2-yl-acetyl)-amino]-2-furan-2-yl-N-(4-methoxy-benzyl)-acetamide
CID 3210867
2-[Furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-N-(4-methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 3210888
N-[1-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 3244519

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide (CID 155932919) is N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide is Cc1ccc([C@@H](NC(=O)c2cccs2)[C@@H](C)[C@@H](NC(=O)c2ccccc2)c2ccccc2)o1.
What is the InChIKey of N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
The InChIKey is VQMGUVZKXUZKBZ-OWAUWMPXSA-N. The full InChI is InChI=1S/C27H26N2O3S/c1-18-15-16-22(32-18)25(29-27(31)23-14-9-17-33-23)19(2)24(20-10-5-3-6-11-20)28-26(30)21-12-7-4-8-13-21/h3-17,19,24-25H,1-2H3,(H,28,30)(H,29,31)/t19-,24+,25-/m0/s1.
What are the key properties of N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R)-3-benzamido-2-methyl-1-(5-methylfuran-2-yl)-3-phenylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 155932919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).