N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C18H19N3O4S — CID 167976299

IUPACN-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C18H19N3O4S/c1-3-14(12-19)20-18(22)13-7-6-8-15(11-13)26(23,24)21-16-9-4-5-10-17(16)25-2/h4-11,14,21H,3H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyXDOFIIOPMHNGFL-CQSZACIVSA-N
MW373.43 g/mol
LogP2.53
Rot. Bonds7

About N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 167976299) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID167976299
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C18H19N3O4S/c1-3-14(12-19)20-18(22)13-7-6-8-15(11-13)26(23,24)21-16-9-4-5-10-17(16)25-2/h4-11,14,21H,3H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyXDOFIIOPMHNGFL-CQSZACIVSA-N
XLogP2.53
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 51185857
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55960868
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate
CID 25340152
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
CID 2520940

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 167976299) is N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is CC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1.
What is the InChIKey of N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is XDOFIIOPMHNGFL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-3-14(12-19)20-18(22)13-7-6-8-15(11-13)26(23,24)21-16-9-4-5-10-17(16)25-2/h4-11,14,21H,3H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 167976299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).