2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C17H19NO3S — CID 51099203

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CSc1ccc(O)cc1
InChIInChI=1S/C17H19NO3S/c1-18(11-13-5-3-4-6-16(13)21-2)17(20)12-22-15-9-7-14(19)8-10-15/h3-10,19H,11-12H2,1-2H3
InChIKeyKZSSLCDNDNBUBG-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 51099203) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID51099203
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CSc1ccc(O)cc1
InChIInChI=1S/C17H19NO3S/c1-18(11-13-5-3-4-6-16(13)21-2)17(20)12-22-15-9-7-14(19)8-10-15/h3-10,19H,11-12H2,1-2H3
InChIKeyKZSSLCDNDNBUBG-UHFFFAOYSA-N
XLogP3.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 43909023
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560171
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 17446702
2-(4-tert-butylphenyl)sulfanyl-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60518633
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 112781383
2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 55357693
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 51073326
4-[4-[(2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]sulfanyl-N-methylbenzamide
CID 66679101

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 51099203) is 2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)CSc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is KZSSLCDNDNBUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-18(11-13-5-3-4-6-16(13)21-2)17(20)12-22-15-9-7-14(19)8-10-15/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 317.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 51099203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).