2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide

C23H30N2O4S — CID 39871455

IUPAC2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(C)c1C
InChIInChI=1S/C23H30N2O4S/c1-15-16(2)18(4)23(19(5)17(15)3)30(27,28)24-20-9-8-10-21(13-20)29-14-22(26)25-11-6-7-12-25/h8-10,13,24H,6-7,11-12,14H2,1-5H3
InChIKeyDUVCUNWGABJIMU-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.03
Rot. Bonds6

About 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide

2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide (PubChem CID 39871455) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
PubChem CID39871455
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(C)c1C
InChIInChI=1S/C23H30N2O4S/c1-15-16(2)18(4)23(19(5)17(15)3)30(27,28)24-20-9-8-10-21(13-20)29-14-22(26)25-11-6-7-12-25/h8-10,13,24H,6-7,11-12,14H2,1-5H3
InChIKeyDUVCUNWGABJIMU-UHFFFAOYSA-N
XLogP4.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 60532237
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
N-ethyl-2-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetamide
CID 39871766
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 60530152
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860
1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 166180053
2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120588334
5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 120621130

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide (CID 39871455) is 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide?
The InChIKey is DUVCUNWGABJIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-15-16(2)18(4)23(19(5)17(15)3)30(27,28)24-20-9-8-10-21(13-20)29-14-22(26)25-11-6-7-12-25/h8-10,13,24H,6-7,11-12,14H2,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 39871455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).