N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide

C23H30N2O5S — CID 122701248

IUPACN,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H30N2O5S/c1-18(23(26)24-14-4-5-15-24)31(27,28)25(16-19-6-10-21(29-2)11-7-19)17-20-8-12-22(30-3)13-9-20/h6-13,18H,4-5,14-17H2,1-3H3
InChIKeyANBYPCJORPNSKM-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.05
Rot. Bonds9

About N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide

N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide (PubChem CID 122701248) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide
PubChem CID122701248
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H30N2O5S/c1-18(23(26)24-14-4-5-15-24)31(27,28)25(16-19-6-10-21(29-2)11-7-19)17-20-8-12-22(30-3)13-9-20/h6-13,18H,4-5,14-17H2,1-3H3
InChIKeyANBYPCJORPNSKM-UHFFFAOYSA-N
XLogP3.05
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113151239
N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate
CID 145359334
(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
CID 122701180
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113151250
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-5-oxopentane-2-sulfonamide
CID 170936388
2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81201309
2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 110316903

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide (CID 122701248) is N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C(C)C(=O)N2CCCC2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide?
The InChIKey is ANBYPCJORPNSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-18(23(26)24-14-4-5-15-24)31(27,28)25(16-19-6-10-21(29-2)11-7-19)17-20-8-12-22(30-3)13-9-20/h6-13,18H,4-5,14-17H2,1-3H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide?
N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide has a molecular weight of 446.57 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide is sourced from PubChem (CID 122701248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).