5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide

C19H23ClN2O4S2 — CID 55658000

IUPAC5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC(C)O1
InChIInChI=1S/C19H23ClN2O4S2/c1-13-11-22(12-14(2)26-13)28(24,25)10-9-21-19(23)18-8-7-17(27-18)15-3-5-16(20)6-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,21,23)
InChIKeyGIBTVGGYKZIGLH-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.24
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide

5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide (PubChem CID 55658000) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide
PubChem CID55658000
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC Name5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC(C)O1
InChIInChI=1S/C19H23ClN2O4S2/c1-13-11-22(12-14(2)26-13)28(24,25)10-9-21-19(23)18-8-7-17(27-18)15-3-5-16(20)6-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,21,23)
InChIKeyGIBTVGGYKZIGLH-UHFFFAOYSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea
CID 55695493
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55713239
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 18145657
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
CID 55658112
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide
CID 55657995
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 55696542
2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide
CID 51941759

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide (CID 55658000) is 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide is CC1CN(S(=O)(=O)CCNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC(C)O1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide?
The InChIKey is GIBTVGGYKZIGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-13-11-22(12-14(2)26-13)28(24,25)10-9-21-19(23)18-8-7-17(27-18)15-3-5-16(20)6-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,21,23).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide has a molecular weight of 442.99 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55658000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).