N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide

C24H25NO2S — CID 46233995

IUPACN-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
SMILESCN(C(=O)CCCSc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2S/c1-25(23(27)13-8-18-28-22-16-14-21(26)15-17-22)24(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,14-17,24,26H,8,13,18H2,1H3
InChIKeyDNYBXGSUFNPYMK-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.51
Rot. Bonds8

About N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide

N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide (PubChem CID 46233995) has the molecular formula C24H25NO2S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide.

Molecular Properties

Compound NameN-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
PubChem CID46233995
Molecular FormulaC24H25NO2S
Molecular Weight391.54 g/mol
Exact Mass391.16
IUPAC NameN-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
SMILESCN(C(=O)CCCSc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2S/c1-25(23(27)13-8-18-28-22-16-14-21(26)15-17-22)24(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,14-17,24,26H,8,13,18H2,1H3
InChIKeyDNYBXGSUFNPYMK-UHFFFAOYSA-N
XLogP5.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46234490
N,N-dimethyl-4-phenylsulfanylbutanamide
CID 13123143
4-(4-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylbutanamide
CID 78843977
4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-nitrophenyl)methyl]butanamide
CID 66679326
N-[(4-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46233830
N-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46233831
4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol
CID 170958236
4-[4-(diethylamino)-4-oxobutyl]sulfanylbenzoic acid
CID 43169843
N,N-dibenzyl-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086505
N-[[2-(4-benzylpiperazin-1-yl)phenyl]methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 66680050
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide
CID 42935777
2-[ethyl(4-phenylsulfanylbutanoyl)amino]-2-methylpropanoic acid
CID 62819830

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide?
The IUPAC name of N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide (CID 46233995) is N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide.
What is the SMILES notation for N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide?
The canonical SMILES for N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide is CN(C(=O)CCCSc1ccc(O)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide?
The InChIKey is DNYBXGSUFNPYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2S/c1-25(23(27)13-8-18-28-22-16-14-21(26)15-17-22)24(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,14-17,24,26H,8,13,18H2,1H3.
What are the key properties of N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide?
N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide has a molecular weight of 391.54 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide is sourced from PubChem (CID 46233995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).