N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C20H20N2O3S — CID 7999406

IUPACN-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C20H20N2O3S/c1-22(14-16-9-6-12-26-16)20(24)17(13-15-7-3-2-4-8-15)21-19(23)18-10-5-11-25-18/h2-12,17H,13-14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyZXCOZLAIHLUWDI-KRWDZBQOSA-N
MW368.46 g/mol
LogP3.34
Rot. Bonds7

About N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 7999406) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID7999406
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C20H20N2O3S/c1-22(14-16-9-6-12-26-16)20(24)17(13-15-7-3-2-4-8-15)21-19(23)18-10-5-11-25-18/h2-12,17H,13-14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyZXCOZLAIHLUWDI-KRWDZBQOSA-N
XLogP3.34
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
4-[(2R)-2-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}propoxy]benzamide
CID 23647085
N-benzyl-5-[(phenylthio)methyl]-2-furamide
CID 2146639
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2363992
N-cyclopentyl-5-{[(3-methylbenzyl)thio]methyl}-2-furamide
CID 3603967
N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 4561126
N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4883868
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404
N-({N'-[(1E)-(3-methylthiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)furan-2-carboxamide
CID 9665049

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 7999406) is N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CN(Cc1cccs1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is ZXCOZLAIHLUWDI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-22(14-16-9-6-12-26-16)20(24)17(13-15-7-3-2-4-8-15)21-19(23)18-10-5-11-25-18/h2-12,17H,13-14H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7999406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).