N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide

C10H15NO2S — CID 43391417

IUPACN-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCO)sc1C
InChIInChI=1S/C10H15NO2S/c1-7-6-9(14-8(7)2)10(13)11-4-3-5-12/h6,12H,3-5H2,1-2H3,(H,11,13)
InChIKeyNOKYKPWMADLVLL-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.48
Rot. Bonds4

About N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide

N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 43391417) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID43391417
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCO)sc1C
InChIInChI=1S/C10H15NO2S/c1-7-6-9(14-8(7)2)10(13)11-4-3-5-12/h6,12H,3-5H2,1-2H3,(H,11,13)
InChIKeyNOKYKPWMADLVLL-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 103767606
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239005
4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115627911
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 103918925
N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 49002161
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 66175829
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462
4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide
CID 96666562

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide (CID 43391417) is N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCCCO)sc1C.
What is the InChIKey of N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is NOKYKPWMADLVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-6-9(14-8(7)2)10(13)11-4-3-5-12/h6,12H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide?
N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 213.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 43391417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).