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

C19H21ClN2O6S2 — CID 55811789

IUPACmethyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C19H21ClN2O6S2/c1-11-9-22(10-12(2)28-11)30(25,26)16-8-13(4-5-15(16)20)17(23)21-18-14(6-7-29-18)19(24)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,23)
InChIKeyWESKVYBVAXKMMK-UHFFFAOYSA-N
MW472.97 g/mol
LogP3.24
Rot. Bonds5

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

methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate (PubChem CID 55811789) has the molecular formula C19H21ClN2O6S2 and a molecular weight of 472.97 g/mol. Its IUPAC name is methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
PubChem CID55811789
Molecular FormulaC19H21ClN2O6S2
Molecular Weight472.97 g/mol
Exact Mass472.05
IUPAC Namemethyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C19H21ClN2O6S2/c1-11-9-22(10-12(2)28-11)30(25,26)16-8-13(4-5-15(16)20)17(23)21-18-14(6-7-29-18)19(24)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,23)
InChIKeyWESKVYBVAXKMMK-UHFFFAOYSA-N
XLogP3.24
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 16551113
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 24640372
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide
CID 18273667
4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55796488
N-(3-acetamidophenyl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55335559
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43009398
methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 18558965
4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412224
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412227
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide
CID 41306963
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550177

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate (CID 55811789) is methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate?
The InChIKey is WESKVYBVAXKMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S2/c1-11-9-22(10-12(2)28-11)30(25,26)16-8-13(4-5-15(16)20)17(23)21-18-14(6-7-29-18)19(24)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,23).
What are the key properties of methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate?
methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate has a molecular weight of 472.97 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55811789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).