ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate

C17H19NO3S — CID 95330103

IUPACethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cccs1
InChIInChI=1S/C17H19NO3S/c1-3-21-17(20)14(12-13-8-5-4-6-9-13)18(2)16(19)15-10-7-11-22-15/h4-11,14H,3,12H2,1-2H3/t14-/m1/s1
InChIKeyGKHMKFHWVXRKIO-CQSZACIVSA-N
MW317.41 g/mol
LogP2.99
Rot. Bonds6

About ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate

ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate (PubChem CID 95330103) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate
PubChem CID95330103
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Nameethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cccs1
InChIInChI=1S/C17H19NO3S/c1-3-21-17(20)14(12-13-8-5-4-6-9-13)18(2)16(19)15-10-7-11-22-15/h4-11,14H,3,12H2,1-2H3/t14-/m1/s1
InChIKeyGKHMKFHWVXRKIO-CQSZACIVSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[(3-methoxyphenyl)methyl-methylamino]-3-phenylpropanoate
CID 99809151
ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate
CID 43910590
methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
CID 11781471
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
ethyl 2-chloro-3-oxo-3-thiophen-2-ylpropanoate
CID 57214731
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
ethyl thiophene-2-carboxylate;2-phenylthiophene
CID 173392308
ethyl (2S)-3-oxo-2-(thiophene-2-carbonyl)butanoate
CID 98044566
ethyl 3-oxo-2-(thiophen-2-ylmethyl)butanoate
CID 19009734
ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate
CID 78021933

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate (CID 95330103) is ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate is CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cccs1.
What is the InChIKey of ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is GKHMKFHWVXRKIO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-21-17(20)14(12-13-8-5-4-6-9-13)18(2)16(19)15-10-7-11-22-15/h4-11,14H,3,12H2,1-2H3/t14-/m1/s1.
What are the key properties of ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate?
ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 317.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 95330103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).