N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H27N3O5S — CID 42994529

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OC)CC2=O)cc1
InChIInChI=1S/C22H27N3O5S/c1-5-15-6-8-17(9-7-15)25-14-16(12-21(25)26)22(27)23-19-13-18(10-11-20(19)30-4)31(28,29)24(2)3/h6-11,13,16H,5,12,14H2,1-4H3,(H,23,27)
InChIKeySDERCONLNCGIEI-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.50
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42994529) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42994529
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OC)CC2=O)cc1
InChIInChI=1S/C22H27N3O5S/c1-5-15-6-8-17(9-7-15)25-14-16(12-21(25)26)22(27)23-19-13-18(10-11-20(19)30-4)31(28,29)24(2)3/h6-11,13,16H,5,12,14H2,1-4H3,(H,23,27)
InChIKeySDERCONLNCGIEI-UHFFFAOYSA-N
XLogP2.50
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2963172
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220393
N-(2,5-dimethoxyphenyl)-1-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189679
N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153926
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43050057
N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43063969
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55638396
N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6484636
N-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85025747
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46530664
1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42994529) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OC)CC2=O)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SDERCONLNCGIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-5-15-6-8-17(9-7-15)25-14-16(12-21(25)26)22(27)23-19-13-18(10-11-20(19)30-4)31(28,29)24(2)3/h6-11,13,16H,5,12,14H2,1-4H3,(H,23,27).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42994529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).