N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide

C21H27N3O4S — CID 1214324

IUPACN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C21H27N3O4S/c1-5-15(4)24-29(27,28)19-11-9-17(10-12-19)22-21(26)16-7-6-8-18(13-16)23-20(25)14(2)3/h6-15,24H,5H2,1-4H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChIKeyUFDUZBRFIQCICA-OAHLLOKOSA-N
MW417.53 g/mol
LogP3.61
Rot. Bonds8

About N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide

N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide (PubChem CID 1214324) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
PubChem CID1214324
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C21H27N3O4S/c1-5-15(4)24-29(27,28)19-11-9-17(10-12-19)22-21(26)16-7-6-8-18(13-16)23-20(25)14(2)3/h6-15,24H,5H2,1-4H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChIKeyUFDUZBRFIQCICA-OAHLLOKOSA-N
XLogP3.61
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 5167519
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 51566572
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
CID 109062983
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46521899
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide (CID 1214324) is N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1.
What is the InChIKey of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide?
The InChIKey is UFDUZBRFIQCICA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-5-15(4)24-29(27,28)19-11-9-17(10-12-19)22-21(26)16-7-6-8-18(13-16)23-20(25)14(2)3/h6-15,24H,5H2,1-4H3,(H,22,26)(H,23,25)/t15-/m1/s1.
What are the key properties of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide?
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide has a molecular weight of 417.53 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 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]-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 1214324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).