4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide

C21H30N4O4S — CID 46441254

IUPAC4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cc(S(=O)(=O)N(CC)CC)cn2C)cc1
InChIInChI=1S/C21H30N4O4S/c1-6-20(26)23-17-11-9-16(10-12-17)15(4)22-21(27)19-13-18(14-24(19)5)30(28,29)25(7-2)8-3/h9-15H,6-8H2,1-5H3,(H,22,27)(H,23,26)
InChIKeyJMHDWKBTHGJWHR-UHFFFAOYSA-N
MW434.56 g/mol
LogP2.90
Rot. Bonds9

About 4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide

4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide (PubChem CID 46441254) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide
PubChem CID46441254
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC Name4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cc(S(=O)(=O)N(CC)CC)cn2C)cc1
InChIInChI=1S/C21H30N4O4S/c1-6-20(26)23-17-11-9-16(10-12-17)15(4)22-21(27)19-13-18(14-24(19)5)30(28,29)25(7-2)8-3/h9-15H,6-8H2,1-5H3,(H,22,27)(H,23,26)
InChIKeyJMHDWKBTHGJWHR-UHFFFAOYSA-N
XLogP2.90
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 55579623
methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
CID 17411877
4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
CID 17481631
4-(diethylsulfamoyl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 34141788
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322
3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436913
4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56555908
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 55338825
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
4-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 87011236
N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7768257

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide (CID 46441254) is 4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2cc(S(=O)(=O)N(CC)CC)cn2C)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide?
The InChIKey is JMHDWKBTHGJWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-6-20(26)23-17-11-9-16(10-12-17)15(4)22-21(27)19-13-18(14-24(19)5)30(28,29)25(7-2)8-3/h9-15H,6-8H2,1-5H3,(H,22,27)(H,23,26).
What are the key properties of 4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide?
4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 46441254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).