4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide

C19H21N3O3S — CID 9260879

IUPAC4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-14(2)22-26(24,25)18-10-6-16(7-11-18)19(23)21-17-8-4-15(5-9-17)12-13-20/h4-11,14,22H,3,12H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyJOOHVUKMHWHQSV-AWEZNQCLSA-N
MW371.46 g/mol
LogP3.08
Rot. Bonds7

About 4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide

4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide (PubChem CID 9260879) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide
PubChem CID9260879
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-14(2)22-26(24,25)18-10-6-16(7-11-18)19(23)21-17-8-4-15(5-9-17)12-13-20/h4-11,14,22H,3,12H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyJOOHVUKMHWHQSV-AWEZNQCLSA-N
XLogP3.08
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46529057
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4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
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4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
3-[[4-(cyanomethyl)phenyl]sulfonylamino]butanoic acid
CID 79186445
N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 17200572
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
4-(cyanomethyl)-N-pentan-2-ylbenzenesulfonamide
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N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide?
The IUPAC name of 4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide (CID 9260879) is 4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide.
What is the SMILES notation for 4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide?
The canonical SMILES for 4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide is CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1.
What is the InChIKey of 4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide?
The InChIKey is JOOHVUKMHWHQSV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-14(2)22-26(24,25)18-10-6-16(7-11-18)19(23)21-17-8-4-15(5-9-17)12-13-20/h4-11,14,22H,3,12H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide?
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide has a molecular weight of 371.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide is sourced from PubChem (CID 9260879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).