2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide

C19H18N2O2S3 — CID 55920308

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(Sc3nc(C)cs3)cc2)cc1
InChIInChI=1S/C19H18N2O2S3/c1-13-11-25-19(20-13)26-17-7-3-14(4-8-17)21-18(22)12-24-16-9-5-15(23-2)6-10-16/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyOHNQMTSFFIUSOA-UHFFFAOYSA-N
MW402.57 g/mol
LogP5.34
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide (PubChem CID 55920308) has the molecular formula C19H18N2O2S3 and a molecular weight of 402.57 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
PubChem CID55920308
Molecular FormulaC19H18N2O2S3
Molecular Weight402.57 g/mol
Exact Mass402.05
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(Sc3nc(C)cs3)cc2)cc1
InChIInChI=1S/C19H18N2O2S3/c1-13-11-25-19(20-13)26-17-7-3-14(4-8-17)21-18(22)12-24-16-9-5-15(23-2)6-10-16/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyOHNQMTSFFIUSOA-UHFFFAOYSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 55810922
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
N-(4-methoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899465
ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 23095935
3,3-dimethyl-N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 19629334
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55921211
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 71940519
2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
CID 47255295
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2532628

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide (CID 55920308) is 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide is COc1ccc(SCC(=O)Nc2ccc(Sc3nc(C)cs3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide?
The InChIKey is OHNQMTSFFIUSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S3/c1-13-11-25-19(20-13)26-17-7-3-14(4-8-17)21-18(22)12-24-16-9-5-15(23-2)6-10-16/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide has a molecular weight of 402.57 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 55920308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).