2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide

C19H22N2O3S — CID 7746770

IUPAC2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
SMILESCC(C)Oc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14(2)24-17-10-8-16(9-11-17)21-19(23)13-25-12-18(22)20-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVBUUUACEOAZHDJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.78
Rot. Bonds8

About 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide

2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide (PubChem CID 7746770) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
PubChem CID7746770
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
SMILESCC(C)Oc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14(2)24-17-10-8-16(9-11-17)21-19(23)13-25-12-18(22)20-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVBUUUACEOAZHDJ-UHFFFAOYSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
(2R)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731528
(2S)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731527
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7574872
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955570
2-[acetyl(benzyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113161293

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide (CID 7746770) is 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide is CC(C)Oc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide?
The InChIKey is VBUUUACEOAZHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14(2)24-17-10-8-16(9-11-17)21-19(23)13-25-12-18(22)20-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide?
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide has a molecular weight of 358.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 7746770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).