N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

C17H19ClN2O6S2 — CID 16761905

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)c(OC)cc1Cl
InChIInChI=1S/C17H19ClN2O6S2/c1-24-14-9-13(15(25-2)8-12(14)18)19-17(21)16-7-11(10-27-16)28(22,23)20-3-5-26-6-4-20/h7-10H,3-6H2,1-2H3,(H,19,21)
InChIKeyNAXVRISHSMMDOL-UHFFFAOYSA-N
MW446.93 g/mol
LogP2.69
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 16761905) has the molecular formula C17H19ClN2O6S2 and a molecular weight of 446.93 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID16761905
Molecular FormulaC17H19ClN2O6S2
Molecular Weight446.93 g/mol
Exact Mass446.04
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)c(OC)cc1Cl
InChIInChI=1S/C17H19ClN2O6S2/c1-24-14-9-13(15(25-2)8-12(14)18)19-17(21)16-7-11(10-27-16)28(22,23)20-3-5-26-6-4-20/h7-10H,3-6H2,1-2H3,(H,19,21)
InChIKeyNAXVRISHSMMDOL-UHFFFAOYSA-N
XLogP2.69
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503499
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
N-cycloheptyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503522
4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6486031
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46575932
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 16761905) is N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is NAXVRISHSMMDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O6S2/c1-24-14-9-13(15(25-2)8-12(14)18)19-17(21)16-7-11(10-27-16)28(22,23)20-3-5-26-6-4-20/h7-10H,3-6H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 446.93 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 16761905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).