4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C24H29N3O5S — CID 55643343

IUPAC4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H29N3O5S/c1-17-8-7-9-19(24(29)26-12-3-4-13-26)22(17)25-23(28)18-10-11-20(32-2)21(16-18)33(30,31)27-14-5-6-15-27/h7-11,16H,3-6,12-15H2,1-2H3,(H,25,28)
InChIKeyKRNVCVBTTSGLMA-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.28
Rot. Bonds6

About 4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55643343) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55643343
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H29N3O5S/c1-17-8-7-9-19(24(29)26-12-3-4-13-26)22(17)25-23(28)18-10-11-20(32-2)21(16-18)33(30,31)27-14-5-6-15-27/h7-11,16H,3-6,12-15H2,1-2H3,(H,25,28)
InChIKeyKRNVCVBTTSGLMA-UHFFFAOYSA-N
XLogP3.28
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2552270
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 4286298
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2940828
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)methanone
CID 18892270
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
dimethyl 5-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 45373598

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55643343) is 4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is KRNVCVBTTSGLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-17-8-7-9-19(24(29)26-12-3-4-13-26)22(17)25-23(28)18-10-11-20(32-2)21(16-18)33(30,31)27-14-5-6-15-27/h7-11,16H,3-6,12-15H2,1-2H3,(H,25,28).
What are the key properties of 4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 471.58 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55643343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).