N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C26H31N3O4S — CID 55952896

IUPACN-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(Cc3ccccc3)CN(C)C)c2)cc1
InChIInChI=1S/C26H31N3O4S/c1-28(2)19-22(17-20-9-6-5-7-10-20)27-26(30)21-11-8-12-25(18-21)34(31,32)29(3)23-13-15-24(33-4)16-14-23/h5-16,18,22H,17,19H2,1-4H3,(H,27,30)
InChIKeyUMPPENKBEDBSFY-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.42
Rot. Bonds10

About N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 55952896) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID55952896
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(Cc3ccccc3)CN(C)C)c2)cc1
InChIInChI=1S/C26H31N3O4S/c1-28(2)19-22(17-20-9-6-5-7-10-20)27-26(30)21-11-8-12-25(18-21)34(31,32)29(3)23-13-15-24(33-4)16-14-23/h5-16,18,22H,17,19H2,1-4H3,(H,27,30)
InChIKeyUMPPENKBEDBSFY-UHFFFAOYSA-N
XLogP3.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2399081
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 55952896) is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(Cc3ccccc3)CN(C)C)c2)cc1.
What is the InChIKey of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is UMPPENKBEDBSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-28(2)19-22(17-20-9-6-5-7-10-20)27-26(30)21-11-8-12-25(18-21)34(31,32)29(3)23-13-15-24(33-4)16-14-23/h5-16,18,22H,17,19H2,1-4H3,(H,27,30).
What are the key properties of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 481.62 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 55952896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).