N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C21H22N2O3S — CID 46476107

IUPACN-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCCc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)s1
InChIInChI=1S/C21H22N2O3S/c1-2-16-10-11-17(27-16)14-22-20(24)18(13-15-7-4-3-5-8-15)23-21(25)19-9-6-12-26-19/h3-12,18H,2,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyKOTLNCVZHAWROB-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.56
Rot. Bonds8

About N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 46476107) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID46476107
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCCc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)s1
InChIInChI=1S/C21H22N2O3S/c1-2-16-10-11-17(27-16)14-22-20(24)18(13-15-7-4-3-5-8-15)23-21(25)19-9-6-12-26-19/h3-12,18H,2,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyKOTLNCVZHAWROB-UHFFFAOYSA-N
XLogP3.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119642471
N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 38135256
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46542128
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800
2-[2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241703

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 46476107) is N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CCc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)s1.
What is the InChIKey of N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is KOTLNCVZHAWROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-2-16-10-11-17(27-16)14-22-20(24)18(13-15-7-4-3-5-8-15)23-21(25)19-9-6-12-26-19/h3-12,18H,2,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46476107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).