N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide

C12H19NO2S — CID 83031783

IUPACN-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NC[C@@H](C)O)sc1C
InChIInChI=1S/C12H19NO2S/c1-4-5-10-6-11(16-9(10)3)12(15)13-7-8(2)14/h6,8,14H,4-5,7H2,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyMJHTVIRHWANWCG-MRVPVSSYSA-N
MW241.36 g/mol
LogP2.12
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide

N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 83031783) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID83031783
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NC[C@@H](C)O)sc1C
InChIInChI=1S/C12H19NO2S/c1-4-5-10-6-11(16-9(10)3)12(15)13-7-8(2)14/h6,8,14H,4-5,7H2,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyMJHTVIRHWANWCG-MRVPVSSYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide (CID 83031783) is N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NC[C@@H](C)O)sc1C.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is MJHTVIRHWANWCG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-5-10-6-11(16-9(10)3)12(15)13-7-8(2)14/h6,8,14H,4-5,7H2,1-3H3,(H,13,15)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide?
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 83031783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).