2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide

C19H20N2O4S — CID 9146473

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1
InChIInChI=1S/C19H20N2O4S/c1-3-24-14-5-7-15(8-6-14)26-11-18(22)20-13-4-9-17-16(10-13)21-19(23)12(2)25-17/h4-10,12H,3,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyDIFGNFDCIRGFGN-LBPRGKRZSA-N
MW372.45 g/mol
LogP3.54
Rot. Bonds6

About 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide

2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide (PubChem CID 9146473) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
PubChem CID9146473
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1
InChIInChI=1S/C19H20N2O4S/c1-3-24-14-5-7-15(8-6-14)26-11-18(22)20-13-4-9-17-16(10-13)21-19(23)12(2)25-17/h4-10,12H,3,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyDIFGNFDCIRGFGN-LBPRGKRZSA-N
XLogP3.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide with MolForge

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
3-(4-fluorophenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9146076
N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682853
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 26002576
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(3-methylphenoxy)propanamide
CID 9145274
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79284913
2-(2-methoxyphenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145221
2-benzhydryloxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 46616642
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9145489

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide (CID 9146473) is 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide is CCOc1ccc(SCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
The InChIKey is DIFGNFDCIRGFGN-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-24-14-5-7-15(8-6-14)26-11-18(22)20-13-4-9-17-16(10-13)21-19(23)12(2)25-17/h4-10,12H,3,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide is sourced from PubChem (CID 9146473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).