3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide

C23H30N2O4S — CID 55579481

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCOc1ccc(C(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)cc1
InChIInChI=1S/C23H30N2O4S/c1-16(2)23(18-7-11-20(29-3)12-8-18)24-22(26)15-6-17-4-13-21(14-5-17)30(27,28)25-19-9-10-19/h4-5,7-8,11-14,16,19,23,25H,6,9-10,15H2,1-3H3,(H,24,26)
InChIKeyIQNLYUPLSIUHMO-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.58
Rot. Bonds10

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide (PubChem CID 55579481) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
PubChem CID55579481
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCOc1ccc(C(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)cc1
InChIInChI=1S/C23H30N2O4S/c1-16(2)23(18-7-11-20(29-3)12-8-18)24-22(26)15-6-17-4-13-21(14-5-17)30(27,28)25-19-9-10-19/h4-5,7-8,11-14,16,19,23,25H,6,9-10,15H2,1-3H3,(H,24,26)
InChIKeyIQNLYUPLSIUHMO-UHFFFAOYSA-N
XLogP3.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 43056932
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588325
2-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 133213419
3-[4-(cyclohexylsulfamoyl)phenyl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 43873814
N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51187566
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28551866
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 78814090
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methoxyphenoxy)propanamide
CID 108736372
N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119612928
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide (CID 55579481) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide is COc1ccc(C(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)cc1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The InChIKey is IQNLYUPLSIUHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-16(2)23(18-7-11-20(29-3)12-8-18)24-22(26)15-6-17-4-13-21(14-5-17)30(27,28)25-19-9-10-19/h4-5,7-8,11-14,16,19,23,25H,6,9-10,15H2,1-3H3,(H,24,26).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide has a molecular weight of 430.57 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 55579481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).