(2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C23H33N3O3S — CID 9356865

IUPAC(2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H33N3O3S/c1-16(2)20-9-7-19(8-10-20)15-26(6)18(5)23(27)24-21-11-13-22(14-12-21)30(28,29)25-17(3)4/h7-14,16-18,25H,15H2,1-6H3,(H,24,27)/t18-/m1/s1
InChIKeyITHNJSIRRJYOME-GOSISDBHSA-N
MW431.60 g/mol
LogP3.96
Rot. Bonds9

About (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

(2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 9356865) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID9356865
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name(2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H33N3O3S/c1-16(2)20-9-7-19(8-10-20)15-26(6)18(5)23(27)24-21-11-13-22(14-12-21)30(28,29)25-17(3)4/h7-14,16-18,25H,15H2,1-6H3,(H,24,27)/t18-/m1/s1
InChIKeyITHNJSIRRJYOME-GOSISDBHSA-N
XLogP3.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[benzyl(methyl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356689
(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8517596
(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 40896299
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 42893690
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55361761
(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356827
(2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 9357083
(2S)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 8517560
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 31784566
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 9356865) is (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is ITHNJSIRRJYOME-GOSISDBHSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-16(2)20-9-7-19(8-10-20)15-26(6)18(5)23(27)24-21-11-13-22(14-12-21)30(28,29)25-17(3)4/h7-14,16-18,25H,15H2,1-6H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
(2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 431.60 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 9356865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).