4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene

C23H24N2O4S — CID 69197012

IUPAC4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene
SMILESCCC(NC(=O)c1cc(O)ccc1N(c1ccc(C)cc1)S(=O)O)c1ccccc1
InChIInChI=1S/C23H24N2O4S/c1-3-21(17-7-5-4-6-8-17)24-23(27)20-15-19(26)13-14-22(20)25(30(28)29)18-11-9-16(2)10-12-18/h4-15,21,26H,3H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyVSUXDVHZSYXHHL-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.86
Rot. Bonds7

About 4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene

4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene (PubChem CID 69197012) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene.

Molecular Properties

Compound Name4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene
PubChem CID69197012
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene
SMILESCCC(NC(=O)c1cc(O)ccc1N(c1ccc(C)cc1)S(=O)O)c1ccccc1
InChIInChI=1S/C23H24N2O4S/c1-3-21(17-7-5-4-6-8-17)24-23(27)20-15-19(26)13-14-22(20)25(30(28)29)18-11-9-16(2)10-12-18/h4-15,21,26H,3H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyVSUXDVHZSYXHHL-UHFFFAOYSA-N
XLogP4.86
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
CID 28575186
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide
CID 107028146
N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673091
N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673314
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide
CID 107726326

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene?
The IUPAC name of 4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene (CID 69197012) is 4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene.
What is the SMILES notation for 4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene?
The canonical SMILES for 4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene is CCC(NC(=O)c1cc(O)ccc1N(c1ccc(C)cc1)S(=O)O)c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene?
The InChIKey is VSUXDVHZSYXHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-3-21(17-7-5-4-6-8-17)24-23(27)20-15-19(26)13-14-22(20)25(30(28)29)18-11-9-16(2)10-12-18/h4-15,21,26H,3H2,1-2H3,(H,24,27)(H,28,29).
What are the key properties of 4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene?
4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene has a molecular weight of 424.52 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene is sourced from PubChem (CID 69197012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).