N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide

C22H31N3O4S2 — CID 16546078

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)sc1C
InChIInChI=1S/C22H31N3O4S2/c1-5-17-14-21(30-16(17)4)22(26)23-19-15-18(31(27,28)25(6-2)7-3)8-9-20(19)24-10-12-29-13-11-24/h8-9,14-15H,5-7,10-13H2,1-4H3,(H,23,26)
InChIKeyYCJVQGARBGGDSG-UHFFFAOYSA-N
MW465.64 g/mol
LogP3.74
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 16546078) has the molecular formula C22H31N3O4S2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID16546078
Molecular FormulaC22H31N3O4S2
Molecular Weight465.64 g/mol
Exact Mass465.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)sc1C
InChIInChI=1S/C22H31N3O4S2/c1-5-17-14-21(30-16(17)4)22(26)23-19-15-18(31(27,28)25(6-2)7-3)8-9-20(19)24-10-12-29-13-11-24/h8-9,14-15H,5-7,10-13H2,1-4H3,(H,23,26)
InChIKeyYCJVQGARBGGDSG-UHFFFAOYSA-N
XLogP3.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 16560707
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
CID 18168362
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
CID 4797773
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810870
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 25406414
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-1-benzothiophene-2-carboxamide
CID 16561052
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 4850521
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
3-cyclohexyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 3510468

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide (CID 16546078) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)sc1C.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is YCJVQGARBGGDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S2/c1-5-17-14-21(30-16(17)4)22(26)23-19-15-18(31(27,28)25(6-2)7-3)8-9-20(19)24-10-12-29-13-11-24/h8-9,14-15H,5-7,10-13H2,1-4H3,(H,23,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 465.64 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 16546078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).