N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C22H32N4O4S — CID 24532722

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C22H32N4O4S/c1-4-25(5-2)16-19-9-7-6-8-18(19)15-23-22(27)21-14-20(17-24(21)3)31(28,29)26-10-12-30-13-11-26/h6-9,14,17H,4-5,10-13,15-16H2,1-3H3,(H,23,27)
InChIKeyLEUFGKSEVKVUSA-UHFFFAOYSA-N
MW448.59 g/mol
LogP1.82
Rot. Bonds9

About N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 24532722) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID24532722
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C22H32N4O4S/c1-4-25(5-2)16-19-9-7-6-8-18(19)15-23-22(27)21-14-20(17-24(21)3)31(28,29)26-10-12-30-13-11-26/h6-9,14,17H,4-5,10-13,15-16H2,1-3H3,(H,23,27)
InChIKeyLEUFGKSEVKVUSA-UHFFFAOYSA-N
XLogP1.82
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-1-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 16574135
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519090
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519046
1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17405267
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 41438993
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 24532722) is N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is CCN(CC)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is LEUFGKSEVKVUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-4-25(5-2)16-19-9-7-6-8-18(19)15-23-22(27)21-14-20(17-24(21)3)31(28,29)26-10-12-30-13-11-26/h6-9,14,17H,4-5,10-13,15-16H2,1-3H3,(H,23,27).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 24532722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).