N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide

C21H29N3O3S — CID 51566582

IUPACN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-16(4)23-28(26,27)20-14-10-18(11-15-20)22-21(25)17-8-12-19(13-9-17)24(6-2)7-3/h8-16,23H,5-7H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyMTMCYXASAVKRNG-MRXNPFEDSA-N
MW403.55 g/mol
LogP3.86
Rot. Bonds9

About N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide

N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide (PubChem CID 51566582) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide.

Molecular Properties

Compound NameN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
PubChem CID51566582
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-16(4)23-28(26,27)20-14-10-18(11-15-20)22-21(25)17-8-12-19(13-9-17)24(6-2)7-3/h8-16,23H,5-7H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyMTMCYXASAVKRNG-MRXNPFEDSA-N
XLogP3.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide
CID 27229396
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide
CID 9260879
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
CID 9313872
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide?
The IUPAC name of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide (CID 51566582) is N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide.
What is the SMILES notation for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide?
The canonical SMILES for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide?
The InChIKey is MTMCYXASAVKRNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-5-16(4)23-28(26,27)20-14-10-18(11-15-20)22-21(25)17-8-12-19(13-9-17)24(6-2)7-3/h8-16,23H,5-7H2,1-4H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide?
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide has a molecular weight of 403.55 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide is sourced from PubChem (CID 51566582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).