2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide

C15H20N2O3S — CID 56822564

IUPAC2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCc1cc(C)c2c(c1)C(NC(=O)CSCC(N)=O)CCO2
InChIInChI=1S/C15H20N2O3S/c1-9-5-10(2)15-11(6-9)12(3-4-20-15)17-14(19)8-21-7-13(16)18/h5-6,12H,3-4,7-8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyHGTPLDXVGYVGIM-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.46
Rot. Bonds5

About 2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide

2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 56822564) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID56822564
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCc1cc(C)c2c(c1)C(NC(=O)CSCC(N)=O)CCO2
InChIInChI=1S/C15H20N2O3S/c1-9-5-10(2)15-11(6-9)12(3-4-20-15)17-14(19)8-21-7-13(16)18/h5-6,12H,3-4,7-8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyHGTPLDXVGYVGIM-UHFFFAOYSA-N
XLogP1.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide (CID 56822564) is 2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide is Cc1cc(C)c2c(c1)C(NC(=O)CSCC(N)=O)CCO2.
What is the InChIKey of 2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is HGTPLDXVGYVGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-9-5-10(2)15-11(6-9)12(3-4-20-15)17-14(19)8-21-7-13(16)18/h5-6,12H,3-4,7-8H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide?
2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 308.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 56822564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).