N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

C20H24N2O4S — CID 40742269

IUPACN-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H24N2O4S/c1-21(15-16-8-4-3-5-9-16)20(23)17-10-11-18(26-2)19(14-17)27(24,25)22-12-6-7-13-22/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3
InChIKeyKZHAPJDZPKEPHZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.75
Rot. Bonds6

About N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 40742269) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID40742269
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H24N2O4S/c1-21(15-16-8-4-3-5-9-16)20(23)17-10-11-18(26-2)19(14-17)27(24,25)22-12-6-7-13-22/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3
InChIKeyKZHAPJDZPKEPHZ-UHFFFAOYSA-N
XLogP2.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
2-phenylethyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 17460667
N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99956878
(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 41302820
N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24979784
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18156104
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 17426865
N-[(4-ethylphenyl)methyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 34890345
N-[(4-methoxyphenyl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26250316
4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55886733

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 40742269) is N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is KZHAPJDZPKEPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-21(15-16-8-4-3-5-9-16)20(23)17-10-11-18(26-2)19(14-17)27(24,25)22-12-6-7-13-22/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3.
What are the key properties of N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 40742269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).