N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

C19H23N3O4S — CID 3699231

IUPACN-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)NN=Cc2ccc(O)cc2)C(C)C)cc1
InChIInChI=1S/C19H23N3O4S/c1-13(2)18(22-27(25,26)17-10-4-14(3)5-11-17)19(24)21-20-12-15-6-8-16(23)9-7-15/h4-13,18,22-23H,1-3H3,(H,21,24)
InChIKeyZQVZOBAFEURZOQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.15
Rot. Bonds7

About N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 3699231) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
PubChem CID3699231
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)NN=Cc2ccc(O)cc2)C(C)C)cc1
InChIInChI=1S/C19H23N3O4S/c1-13(2)18(22-27(25,26)17-10-4-14(3)5-11-17)19(24)21-20-12-15-6-8-16(23)9-7-15/h4-13,18,22-23H,1-3H3,(H,21,24)
InChIKeyZQVZOBAFEURZOQ-UHFFFAOYSA-N
XLogP2.15
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670442
2-(benzenesulfonamido)-3-methyl-N-[(3-nitrophenyl)methylideneamino]butanamide
CID 5196252
(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 1274947
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]butanoic acid
CID 70246349
(2S)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 44591870
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-chloro-N-[1-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4691730
(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide
CID 25496727
(2S)-2-(benzenesulfonamido)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methylbutanamide
CID 7034036
2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide
CID 45356627
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126122182

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide (CID 3699231) is N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)NC(C(=O)NN=Cc2ccc(O)cc2)C(C)C)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is ZQVZOBAFEURZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(2)18(22-27(25,26)17-10-4-14(3)5-11-17)19(24)21-20-12-15-6-8-16(23)9-7-15/h4-13,18,22-23H,1-3H3,(H,21,24).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 389.48 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 3699231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).