4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide

C20H26N2O4S — CID 46575308

IUPAC4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC(C)CC)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-14-26-19-9-7-6-8-18(19)21-20(23)16-10-12-17(13-11-16)27(24,25)22-15(3)5-2/h6-13,15,22H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyPYPUKAQSMWHXFX-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.80
Rot. Bonds9

About 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide

4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide (PubChem CID 46575308) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide
PubChem CID46575308
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC(C)CC)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-14-26-19-9-7-6-8-18(19)21-20(23)16-10-12-17(13-11-16)27(24,25)22-15(3)5-2/h6-13,15,22H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyPYPUKAQSMWHXFX-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

Analyze 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-(ethylsulfamoyl)-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55990432
N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 55953705
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
CID 41273948
N-(3-amino-3-oxopropyl)-2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 56572924
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
4-(ethylsulfamoyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 39498244
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide (CID 46575308) is 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide is CCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC(C)CC)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide?
The InChIKey is PYPUKAQSMWHXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-14-26-19-9-7-6-8-18(19)21-20(23)16-10-12-17(13-11-16)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 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide?
4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide 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 4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 46575308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).