3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide

C26H31N3O4S — CID 55987169

IUPAC3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C26H31N3O4S/c1-18(19-9-7-6-8-10-19)27-21-12-14-22(15-13-21)28-25(30)20-11-16-23(33-5)24(17-20)34(31,32)29-26(2,3)4/h6-18,27,29H,1-5H3,(H,28,30)
InChIKeyGRTZYEDRSQFSJR-UHFFFAOYSA-N
MW481.62 g/mol
LogP5.20
Rot. Bonds8

About 3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide

3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide (PubChem CID 55987169) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
PubChem CID55987169
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC Name3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C26H31N3O4S/c1-18(19-9-7-6-8-10-19)27-21-12-14-22(15-13-21)28-25(30)20-11-16-23(33-5)24(17-20)34(31,32)29-26(2,3)4/h6-18,27,29H,1-5H3,(H,28,30)
InChIKeyGRTZYEDRSQFSJR-UHFFFAOYSA-N
XLogP5.20
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 112982231
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
3-(tert-butylsulfamoyl)-N-(9H-fluoren-2-yl)-4-methoxybenzamide
CID 26889796
3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide
CID 56516978
3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 43003256
N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 27693844
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
N-[4-(tert-butylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1306926

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide (CID 55987169) is 3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide?
The InChIKey is GRTZYEDRSQFSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-18(19-9-7-6-8-10-19)27-21-12-14-22(15-13-21)28-25(30)20-11-16-23(33-5)24(17-20)34(31,32)29-26(2,3)4/h6-18,27,29H,1-5H3,(H,28,30).
What are the key properties of 3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide?
3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide has a molecular weight of 481.62 g/mol, XLogP of 5.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide is sourced from PubChem (CID 55987169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).