N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide

C20H25N3O4S — CID 4209013

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-14(3)23-28(26,27)18-12-10-17(11-13-18)22-20(25)15-6-8-16(9-7-15)21-19(24)5-2/h6-14,23H,4-5H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyJTRNXWOLWFHLSQ-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.36
Rot. Bonds8

About N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide

N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide (PubChem CID 4209013) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
PubChem CID4209013
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-14(3)23-28(26,27)18-12-10-17(11-13-18)22-20(25)15-6-8-16(9-7-15)21-19(24)5-2/h6-14,23H,4-5H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyJTRNXWOLWFHLSQ-UHFFFAOYSA-N
XLogP3.36
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
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
CID 2162899
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
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-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide (CID 4209013) is N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide?
The InChIKey is JTRNXWOLWFHLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-14(3)23-28(26,27)18-12-10-17(11-13-18)22-20(25)15-6-8-16(9-7-15)21-19(24)5-2/h6-14,23H,4-5H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide has a molecular weight of 403.50 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide is sourced from PubChem (CID 4209013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).