N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide

C14H22N2O4S2 — CID 51728926

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C14H22N2O4S2/c1-10-8-16(9-11(2)20-10)22(18,19)7-6-15-14(17)13-5-4-12(3)21-13/h4-5,10-11H,6-9H2,1-3H3,(H,15,17)/t10-,11+
InChIKeyAQRBGXYVQBUZQQ-PHIMTYICSA-N
MW346.47 g/mol
LogP1.23
Rot. Bonds5

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide (PubChem CID 51728926) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
PubChem CID51728926
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C14H22N2O4S2/c1-10-8-16(9-11(2)20-10)22(18,19)7-6-15-14(17)13-5-4-12(3)21-13/h4-5,10-11H,6-9H2,1-3H3,(H,15,17)/t10-,11+
InChIKeyAQRBGXYVQBUZQQ-PHIMTYICSA-N
XLogP1.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide
CID 55658000
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111897369
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-ethyl-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111898139
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 55696542
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55713239
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 55674939
2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide
CID 51941759
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
CID 47337072

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide (CID 51728926) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)s1.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is AQRBGXYVQBUZQQ-PHIMTYICSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-10-8-16(9-11(2)20-10)22(18,19)7-6-15-14(17)13-5-4-12(3)21-13/h4-5,10-11H,6-9H2,1-3H3,(H,15,17)/t10-,11+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 51728926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).