N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide

C12H19NO2S2 — CID 103767606

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCSCCCO)sc1C
InChIInChI=1S/C12H19NO2S2/c1-9-8-11(17-10(9)2)12(15)13-4-7-16-6-3-5-14/h8,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyOZEYGIGEADVLFI-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.21
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 103767606) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID103767606
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCSCCCO)sc1C
InChIInChI=1S/C12H19NO2S2/c1-9-8-11(17-10(9)2)12(15)13-4-7-16-6-3-5-14/h8,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyOZEYGIGEADVLFI-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 43391417
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
N-[2-(3-hydroxypropylsulfanyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 103767820
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 103800830
N-[2-(3-hydroxypropylsulfanyl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 103767384
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 66175829
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
2,5-dibromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-3-carboxamide
CID 113264618
2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,6-dimethylpyridine-3-carboxamide
CID 110027864
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 103800664

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide (CID 103767606) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCCSCCCO)sc1C.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is OZEYGIGEADVLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-9-8-11(17-10(9)2)12(15)13-4-7-16-6-3-5-14/h8,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103767606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).