N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide

C20H24N2O4S — CID 55953705

IUPACN-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-3-14-26-19-7-5-4-6-18(19)21-20(23)15-8-12-17(13-9-15)27(24,25)22-16-10-11-16/h4-9,12-13,16,22H,2-3,10-11,14H2,1H3,(H,21,23)
InChIKeyQUFMQMKLATXIGM-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.56
Rot. Bonds9

About N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide

N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide (PubChem CID 55953705) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
PubChem CID55953705
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-3-14-26-19-7-5-4-6-18(19)21-20(23)15-8-12-17(13-9-15)27(24,25)22-16-10-11-16/h4-9,12-13,16,22H,2-3,10-11,14H2,1H3,(H,21,23)
InChIKeyQUFMQMKLATXIGM-UHFFFAOYSA-N
XLogP3.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-(cyclopropylsulfamoyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203522
N-[2-[(2R)-butan-2-yl]phenyl]-4-(cyclopropylsulfamoyl)benzamide
CID 40819169
4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide
CID 46533931
4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 46575308
4-(cyclopropylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32611210
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
4-(cyclopropylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 24643912
5-(cyclopropylsulfamoyl)-N-[2-(4-ethoxyphenoxy)phenyl]-2-methylbenzamide
CID 24585807
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
4-(cyclohexylsulfamoyl)-N-pentylbenzamide
CID 109059553
1,3-bis(2-butoxyphenyl)urea
CID 17170447

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide (CID 55953705) is N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide is CCCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide?
The InChIKey is QUFMQMKLATXIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-3-14-26-19-7-5-4-6-18(19)21-20(23)15-8-12-17(13-9-15)27(24,25)22-16-10-11-16/h4-9,12-13,16,22H,2-3,10-11,14H2,1H3,(H,21,23).
What are the key properties of N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide?
N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 55953705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).