4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide

C18H22F2N4O4S — CID 17481631

IUPAC4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)n(C)c1
InChIInChI=1S/C18H22F2N4O4S/c1-4-24(5-2)29(27,28)13-9-16(23(3)11-13)18(26)21-10-17(25)22-12-6-7-14(19)15(20)8-12/h6-9,11H,4-5,10H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyXHQJMGHLEJFSDH-UHFFFAOYSA-N
MW428.46 g/mol
LogP1.70
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide

4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 17481631) has the molecular formula C18H22F2N4O4S and a molecular weight of 428.46 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
PubChem CID17481631
Molecular FormulaC18H22F2N4O4S
Molecular Weight428.46 g/mol
Exact Mass428.13
IUPAC Name4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)n(C)c1
InChIInChI=1S/C18H22F2N4O4S/c1-4-24(5-2)29(27,28)13-9-16(23(3)11-13)18(26)21-10-17(25)22-12-6-7-14(19)15(20)8-12/h6-9,11H,4-5,10H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyXHQJMGHLEJFSDH-UHFFFAOYSA-N
XLogP1.70
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
CID 17411877
4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide
CID 46441254
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322
N-[2-(3-chlorophenyl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 16574039
methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
CID 17476649
2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16597959
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 26364425
N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 9100034
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 32637125
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 25162057

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide (CID 17481631) is 4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)n(C)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is XHQJMGHLEJFSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O4S/c1-4-24(5-2)29(27,28)13-9-16(23(3)11-13)18(26)21-10-17(25)22-12-6-7-14(19)15(20)8-12/h6-9,11H,4-5,10H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide?
4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 17481631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).