methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate

C17H19NO5S — CID 38934348

IUPACmethyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)[C@@H](C)OCc2cccc(OC)c2)s1
InChIInChI=1S/C17H19NO5S/c1-11(23-10-12-5-4-6-13(9-12)21-2)16(19)18-15-8-7-14(24-15)17(20)22-3/h4-9,11H,10H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyBARYTNPWHSEILQ-LLVKDONJSA-N
MW349.41 g/mol
LogP3.09
Rot. Bonds7

About methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate

methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate (PubChem CID 38934348) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate
PubChem CID38934348
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namemethyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)[C@@H](C)OCc2cccc(OC)c2)s1
InChIInChI=1S/C17H19NO5S/c1-11(23-10-12-5-4-6-13(9-12)21-2)16(19)18-15-8-7-14(24-15)17(20)22-3/h4-9,11H,10H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyBARYTNPWHSEILQ-LLVKDONJSA-N
XLogP3.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
methyl 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 55686318
2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 86985434
3-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540630
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
(2R)-N-[3-(ethylaminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 124570178
2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
CID 60552955
2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 119253837
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686685
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
(2S,3S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-3-methylpentanoic acid
CID 119193748

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate (CID 38934348) is methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)[C@@H](C)OCc2cccc(OC)c2)s1.
What is the InChIKey of methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate?
The InChIKey is BARYTNPWHSEILQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-11(23-10-12-5-4-6-13(9-12)21-2)16(19)18-15-8-7-14(24-15)17(20)22-3/h4-9,11H,10H2,1-3H3,(H,18,19)/t11-/m1/s1.
What are the key properties of methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate?
methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 38934348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).