5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide

C15H23N3O4S — CID 146024625

IUPAC5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1
InChIInChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-23(20,21)12-6-7-14(22-2)13(9-12)15(16)19/h6-7,9,11,17H,3-5,8,10H2,1-2H3,(H2,16,19)
InChIKeyUFXUEQPAPZXNBY-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.56
Rot. Bonds7

About 5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide

5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide (PubChem CID 146024625) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
PubChem CID146024625
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1
InChIInChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-23(20,21)12-6-7-14(22-2)13(9-12)15(16)19/h6-7,9,11,17H,3-5,8,10H2,1-2H3,(H2,16,19)
InChIKeyUFXUEQPAPZXNBY-UHFFFAOYSA-N
XLogP0.56
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide
CID 1262968
3-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-4-methoxybenzamide
CID 2966184
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydron;chloride
CID 45108246
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 171911932
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 42589509
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide (CID 146024625) is 5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide is CCN1CCCC1CNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1.
What is the InChIKey of 5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide?
The InChIKey is UFXUEQPAPZXNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-23(20,21)12-6-7-14(22-2)13(9-12)15(16)19/h6-7,9,11,17H,3-5,8,10H2,1-2H3,(H2,16,19).
What are the key properties of 5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide?
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide has a molecular weight of 341.43 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 146024625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).