2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide

C24H25NO3S — CID 11122374

IUPAC2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide
SMILESCN(C)C(=S)C(O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C24H25NO3S/c1-25(2)24(29)23(26)21-14-13-20(27-16-18-9-5-3-6-10-18)15-22(21)28-17-19-11-7-4-8-12-19/h3-15,23,26H,16-17H2,1-2H3
InChIKeyDMOCHSBAZTYQFJ-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.77
Rot. Bonds8

About 2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide

2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide (PubChem CID 11122374) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide.

Molecular Properties

Compound Name2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide
PubChem CID11122374
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide
SMILESCN(C)C(=S)C(O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C24H25NO3S/c1-25(2)24(29)23(26)21-14-13-20(27-16-18-9-5-3-6-10-18)15-22(21)28-17-19-11-7-4-8-12-19/h3-15,23,26H,16-17H2,1-2H3
InChIKeyDMOCHSBAZTYQFJ-UHFFFAOYSA-N
XLogP4.77
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4S)-1-[2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-2,3-dimethylbutane-1,4-diol
CID 166448543
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828511
3-[2,4-bis(phenylmethoxy)phenyl]butanal
CID 138513595
1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828459
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
CID 139828116
1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894473
(4-methoxyphenyl)-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)methanol
CID 25132186
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
3-methoxy-2-(4-methoxy-2-phenylmethoxyphenyl)-3-oxopropanoic acid
CID 138968259
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
CID 123516675
CID 123516675

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide?
The IUPAC name of 2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide (CID 11122374) is 2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide.
What is the SMILES notation for 2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide?
The canonical SMILES for 2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide is CN(C)C(=S)C(O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide?
The InChIKey is DMOCHSBAZTYQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-25(2)24(29)23(26)21-14-13-20(27-16-18-9-5-3-6-10-18)15-22(21)28-17-19-11-7-4-8-12-19/h3-15,23,26H,16-17H2,1-2H3.
What are the key properties of 2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide?
2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide has a molecular weight of 407.54 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide is sourced from PubChem (CID 11122374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).