methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate

C19H22N2O6S2 — CID 46616141

IUPACmethyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H22N2O6S2/c1-12-10-21(11-13(2)27-12)29(24,25)15-6-4-14(5-7-15)18(22)20-16-8-9-28-17(16)19(23)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,20,22)
InChIKeyVIVYNKHPLUJRSV-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.58
Rot. Bonds5

About methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate

methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate (PubChem CID 46616141) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
PubChem CID46616141
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Namemethyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H22N2O6S2/c1-12-10-21(11-13(2)27-12)29(24,25)15-6-4-14(5-7-15)18(22)20-16-8-9-28-17(16)19(23)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,20,22)
InChIKeyVIVYNKHPLUJRSV-UHFFFAOYSA-N
XLogP2.58
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 43981326
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2088924
methyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 23850802
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide
CID 99678549
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide
CID 42559699
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 18074383
N-(2-chloro-4-methylphenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926672

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate (CID 46616141) is methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate?
The InChIKey is VIVYNKHPLUJRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-12-10-21(11-13(2)27-12)29(24,25)15-6-4-14(5-7-15)18(22)20-16-8-9-28-17(16)19(23)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,20,22).
What are the key properties of methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate?
methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 46616141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).