methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate

C15H17NO3S — CID 59752386

IUPACmethyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(C)CO
InChIInChI=1S/C15H17NO3S/c1-10(9-17)16-12-8-13(11-6-4-3-5-7-11)20-14(12)15(18)19-2/h3-8,10,16-17H,9H2,1-2H3
InChIKeyUYLHDRWQEQNJFY-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.99
Rot. Bonds5

About methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate

methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate (PubChem CID 59752386) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate
PubChem CID59752386
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Namemethyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(C)CO
InChIInChI=1S/C15H17NO3S/c1-10(9-17)16-12-8-13(11-6-4-3-5-7-11)20-14(12)15(18)19-2/h3-8,10,16-17H,9H2,1-2H3
InChIKeyUYLHDRWQEQNJFY-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(4-methoxyphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8718962
methyl 3-[(5-bromothiophene-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 5018015
methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate
CID 14154188
methyl 3-[(4-methylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565351
methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
CID 142601231
methyl 3-[(4-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565786
(Z)-1,1,1-trifluoro-4-[(2-methoxycarbonyl-5-phenylthiophen-3-yl)amino]-4-oxobut-2-en-2-olate
CID 134095767
sodium 2-methoxycarbonyl-5-phenylthiophene-3-sulfinate
CID 165455794
2-[2-(2-methoxycarbonyl-5-phenylthiophen-3-yl)acetyl]benzoic acid
CID 58390695
methyl 3-amino-5-phenylthiophene-2-carboxylate;methyl 3-[(2,4-dichlorobenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 157100937
2-O-[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504581
methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121040700

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate (CID 59752386) is methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2)cc1NC(C)CO.
What is the InChIKey of methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate?
The InChIKey is UYLHDRWQEQNJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10(9-17)16-12-8-13(11-6-4-3-5-7-11)20-14(12)15(18)19-2/h3-8,10,16-17H,9H2,1-2H3.
What are the key properties of methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate?
methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 59752386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).