N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide

C20H26N2O4S — CID 17160202

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-14-26-18-10-6-16(7-11-18)20(23)21-17-8-12-19(13-9-17)27(24,25)22-15(3)5-2/h6-13,15,22H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyIRZYFXHXGDBEOS-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.80
Rot. Bonds9

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

N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide (PubChem CID 17160202) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
PubChem CID17160202
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-14-26-18-10-6-16(7-11-18)20(23)21-17-8-12-19(13-9-17)27(24,25)22-15(3)5-2/h6-13,15,22H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyIRZYFXHXGDBEOS-UHFFFAOYSA-N
XLogP3.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198
N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-butoxybenzamide
CID 17160335
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
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-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 46575308
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide (CID 17160202) is N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide?
The InChIKey is IRZYFXHXGDBEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-14-26-18-10-6-16(7-11-18)20(23)21-17-8-12-19(13-9-17)27(24,25)22-15(3)5-2/h6-13,15,22H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide has a molecular weight of 390.51 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 17160202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).