N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide

C20H27N3O4S2 — CID 4102643

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2sccc2C)c1
InChIInChI=1S/C20H27N3O4S2/c1-4-23(5-2)29(25,26)16-6-7-18(22-9-11-27-12-10-22)17(14-16)21-20(24)19-15(3)8-13-28-19/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,21,24)
InChIKeyKCGWVEXABJYUPO-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.18
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 4102643) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
PubChem CID4102643
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2sccc2C)c1
InChIInChI=1S/C20H27N3O4S2/c1-4-23(5-2)29(25,26)16-6-7-18(22-9-11-27-12-10-22)17(14-16)21-20(24)19-15(3)8-13-28-19/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,21,24)
InChIKeyKCGWVEXABJYUPO-UHFFFAOYSA-N
XLogP3.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
CID 4009096
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
N-(3-fluorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 1238883
Cambridge id 6662308
CID 2909105
3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
CID 16282216
N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 734614
N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-2-thiophenecarboxamide
CID 1094288
4-ethyl-5-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1246818
N-(2-morpholin-4-ylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2084205
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2510848
N-(3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4188174

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide (CID 4102643) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2sccc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is KCGWVEXABJYUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-4-23(5-2)29(25,26)16-6-7-18(22-9-11-27-12-10-22)17(14-16)21-20(24)19-15(3)8-13-28-19/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,21,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 3.18, 7 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]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 4102643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).