3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide

C15H23N3O4S — CID 1262968

IUPAC3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide
SMILESCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(C(N)=O)ccc1OC
InChIInChI=1S/C15H23N3O4S/c1-3-18-8-4-5-12(18)10-17-23(20,21)14-9-11(15(16)19)6-7-13(14)22-2/h6-7,9,12,17H,3-5,8,10H2,1-2H3,(H2,16,19)/t12-/m1/s1
InChIKeyZKJHIFFFLXCPBE-GFCCVEGCSA-N
MW341.43 g/mol
LogP0.56
Rot. Bonds7

About 3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide

3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide (PubChem CID 1262968) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide
PubChem CID1262968
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide
SMILESCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(C(N)=O)ccc1OC
InChIInChI=1S/C15H23N3O4S/c1-3-18-8-4-5-12(18)10-17-23(20,21)14-9-11(15(16)19)6-7-13(14)22-2/h6-7,9,12,17H,3-5,8,10H2,1-2H3,(H2,16,19)/t12-/m1/s1
InChIKeyZKJHIFFFLXCPBE-GFCCVEGCSA-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-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-4-methoxybenzamide
CID 2966184
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
methyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 95068807
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 43109838
6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873540
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide?
The IUPAC name of 3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide (CID 1262968) is 3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide?
The canonical SMILES for 3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide is CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(C(N)=O)ccc1OC.
What is the InChIKey of 3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide?
The InChIKey is ZKJHIFFFLXCPBE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-12(18)10-17-23(20,21)14-9-11(15(16)19)6-7-13(14)22-2/h6-7,9,12,17H,3-5,8,10H2,1-2H3,(H2,16,19)/t12-/m1/s1.
What are the key properties of 3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide?
3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-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 3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide is sourced from PubChem (CID 1262968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).