4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C22H25N3O5S — CID 92672793

IUPAC4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1N1CCCC1=O
InChIInChI=1S/C22H25N3O5S/c1-30-20-11-10-16(15-19(20)25-14-6-9-21(25)26)31(28,29)23-18-8-3-2-7-17(18)22(27)24-12-4-5-13-24/h2-3,7-8,10-11,15,23H,4-6,9,12-14H2,1H3
InChIKeyAZVGIYUATOHKCX-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.86
Rot. Bonds6

About 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 92672793) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID92672793
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1N1CCCC1=O
InChIInChI=1S/C22H25N3O5S/c1-30-20-11-10-16(15-19(20)25-14-6-9-21(25)26)31(28,29)23-18-8-3-2-7-17(18)22(27)24-12-4-5-13-24/h2-3,7-8,10-11,15,23H,4-6,9,12-14H2,1H3
InChIKeyAZVGIYUATOHKCX-UHFFFAOYSA-N
XLogP2.86
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 38009918
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43904484
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 28633920
N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 100525119
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46763903
ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate
CID 38011110
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636062
N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284127
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 92672793) is 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1N1CCCC1=O.
What is the InChIKey of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is AZVGIYUATOHKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-30-20-11-10-16(15-19(20)25-14-6-9-21(25)26)31(28,29)23-18-8-3-2-7-17(18)22(27)24-12-4-5-13-24/h2-3,7-8,10-11,15,23H,4-6,9,12-14H2,1H3.
What are the key properties of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 92672793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).