3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide

C15H23N3O5S — CID 119551020

IUPAC3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cc(C(=O)N(C)C2CCNC2)cc(NS(C)(=O)=O)c1OC
InChIInChI=1S/C15H23N3O5S/c1-18(11-5-6-16-9-11)15(19)10-7-12(17-24(4,20)21)14(23-3)13(8-10)22-2/h7-8,11,16-17H,5-6,9H2,1-4H3
InChIKeyYWCVGSJSGOMZDT-UHFFFAOYSA-N
MW357.43 g/mol
LogP0.51
Rot. Bonds6

About 3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide

3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119551020) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119551020
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cc(C(=O)N(C)C2CCNC2)cc(NS(C)(=O)=O)c1OC
InChIInChI=1S/C15H23N3O5S/c1-18(11-5-6-16-9-11)15(19)10-7-12(17-24(4,20)21)14(23-3)13(8-10)22-2/h7-8,11,16-17H,5-6,9H2,1-4H3
InChIKeyYWCVGSJSGOMZDT-UHFFFAOYSA-N
XLogP0.51
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556011
N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 119470818
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 125134434
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530168
4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119553771
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552147
N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119553626
3,5-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807213
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119551846
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 119551020) is 3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide is COc1cc(C(=O)N(C)C2CCNC2)cc(NS(C)(=O)=O)c1OC.
What is the InChIKey of 3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is YWCVGSJSGOMZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-18(11-5-6-16-9-11)15(19)10-7-12(17-24(4,20)21)14(23-3)13(8-10)22-2/h7-8,11,16-17H,5-6,9H2,1-4H3.
What are the key properties of 3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 357.43 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119551020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).