N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide

C14H22N2O3S — CID 111912435

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CC(O)CN2CCOCC2)s1
InChIInChI=1S/C14H22N2O3S/c1-11-3-4-13(20-11)14(18)15(2)9-12(17)10-16-5-7-19-8-6-16/h3-4,12,17H,5-10H2,1-2H3
InChIKeyVQRVWYGOGMMJGJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.82
Rot. Bonds5

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide

N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide (PubChem CID 111912435) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide
PubChem CID111912435
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CC(O)CN2CCOCC2)s1
InChIInChI=1S/C14H22N2O3S/c1-11-3-4-13(20-11)14(18)15(2)9-12(17)10-16-5-7-19-8-6-16/h3-4,12,17H,5-10H2,1-2H3
InChIKeyVQRVWYGOGMMJGJ-UHFFFAOYSA-N
XLogP0.82
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide
CID 111912448
2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide
CID 111912534
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4,6-trimethyl-1H-indole-2-carboxamide
CID 111912425
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide
CID 111912473
6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 166210641
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea
CID 95974569
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3,4,4-tetramethylpentanamide
CID 111912430
2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide
CID 111912368
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 55207587

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide (CID 111912435) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide is Cc1ccc(C(=O)N(C)CC(O)CN2CCOCC2)s1.
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is VQRVWYGOGMMJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-3-4-13(20-11)14(18)15(2)9-12(17)10-16-5-7-19-8-6-16/h3-4,12,17H,5-10H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 111912435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).