N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide

C25H28N2O4S — CID 17140257

IUPACN-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-27(22-10-6-5-7-11-22)32(29,30)24-15-13-21(14-16-24)26-25(28)20-9-8-12-23(17-20)31-18-19(2)3/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyRRCRXUIRNORHPL-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.19
Rot. Bonds9

About N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide

N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide (PubChem CID 17140257) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide
PubChem CID17140257
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-27(22-10-6-5-7-11-22)32(29,30)24-15-13-21(14-16-24)26-25(28)20-9-8-12-23(17-20)31-18-19(2)3/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyRRCRXUIRNORHPL-UHFFFAOYSA-N
XLogP5.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
3-butan-2-yloxy-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17149974
3-(2-ethoxyethoxy)-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17139814
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
N-[4-(diethylsulfamoyl)phenyl]-3-ethoxybenzamide
CID 4957423
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140621
N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945772
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17140290
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide (CID 17140257) is N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is RRCRXUIRNORHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-27(22-10-6-5-7-11-22)32(29,30)24-15-13-21(14-16-24)26-25(28)20-9-8-12-23(17-20)31-18-19(2)3/h5-17,19H,4,18H2,1-3H3,(H,26,28).
What are the key properties of N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide?
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 452.58 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17140257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).