N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide

C9H13NO3S — CID 66176220

IUPACN-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(O)CO)s1
InChIInChI=1S/C9H13NO3S/c1-6-2-3-8(14-6)9(13)10-4-7(12)5-11/h2-3,7,11-12H,4-5H2,1H3,(H,10,13)
InChIKeyJHEQYMDHVMJQPF-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.14
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide

N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide (PubChem CID 66176220) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
PubChem CID66176220
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(O)CO)s1
InChIInChI=1S/C9H13NO3S/c1-6-2-3-8(14-6)9(13)10-4-7(12)5-11/h2-3,7,11-12H,4-5H2,1H3,(H,10,13)
InChIKeyJHEQYMDHVMJQPF-UHFFFAOYSA-N
XLogP0.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 113492648
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 66175829
N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 43461437
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide
CID 94800112
N-[(2R)-2-(ethylamino)propyl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120653284
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 38524814
(4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one
CID 149121842

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide (CID 66176220) is N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(O)CO)s1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide?
The InChIKey is JHEQYMDHVMJQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6-2-3-8(14-6)9(13)10-4-7(12)5-11/h2-3,7,11-12H,4-5H2,1H3,(H,10,13).
What are the key properties of N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide?
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide has a molecular weight of 215.27 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 66176220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).