2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide

C16H25N3O5S — CID 76969232

IUPAC2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2C)c1
InChIInChI=1S/C16H25N3O5S/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20)/t11-/m0/s1
InChIKeySODOSTUXGWHQII-NSHDSACASA-N
MW371.46 g/mol
LogP0.44
Rot. Bonds7

About 2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide

2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide (PubChem CID 76969232) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide
PubChem CID76969232
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Name2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2C)c1
InChIInChI=1S/C16H25N3O5S/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20)/t11-/m0/s1
InChIKeySODOSTUXGWHQII-NSHDSACASA-N
XLogP0.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethoxy-N-[[(2R)-1-propylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 172640676
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CID 70579053
2,3-dimethoxy-N-[[(2R)-1-prop-2-enylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 969473
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide
CID 23276511
2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
CID 175104597
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 42589509
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 20544723
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydron;chloride
CID 45108246
2-methoxy-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 15664993

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide (CID 76969232) is 2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2C)c1.
What is the InChIKey of 2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide?
The InChIKey is SODOSTUXGWHQII-NSHDSACASA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide?
2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide has a molecular weight of 371.46 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 76969232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).