N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide

C11H17NO4S — CID 114008198

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H17NO4S/c1-2-8-3-4-17-9(8)10(16)12-11(5-13,6-14)7-15/h3-4,13-15H,2,5-7H2,1H3,(H,12,16)
InChIKeyYBASSTSDHSAQHJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.24
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide (PubChem CID 114008198) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide
PubChem CID114008198
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H17NO4S/c1-2-8-3-4-17-9(8)10(16)12-11(5-13,6-14)7-15/h3-4,13-15H,2,5-7H2,1H3,(H,12,16)
InChIKeyYBASSTSDHSAQHJ-UHFFFAOYSA-N
XLogP-0.24
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide
CID 107845769
3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide
CID 105059158
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
N-(3-cyclopentylpropyl)-3-ethylthiophene-2-carboxamide
CID 55996333
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide
CID 109479175
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61389277
N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
CID 106366310
3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 66107939
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051
2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid
CID 63913393

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide (CID 114008198) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide?
The InChIKey is YBASSTSDHSAQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-2-8-3-4-17-9(8)10(16)12-11(5-13,6-14)7-15/h3-4,13-15H,2,5-7H2,1H3,(H,12,16).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of -0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 114008198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).