(2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide

C15H20N2O5S — CID 124842764

IUPAC(2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)CC[C@H](C(=O)NCCC(=O)NS(C)(=O)=O)O2
InChIInChI=1S/C15H20N2O5S/c1-10-3-5-12-11(9-10)4-6-13(22-12)15(19)16-8-7-14(18)17-23(2,20)21/h3,5,9,13H,4,6-8H2,1-2H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyCQURRGFOLARRJD-CYBMUJFWSA-N
MW340.40 g/mol
LogP0.27
Rot. Bonds5

About (2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide

(2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 124842764) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is (2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID124842764
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name(2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)CC[C@H](C(=O)NCCC(=O)NS(C)(=O)=O)O2
InChIInChI=1S/C15H20N2O5S/c1-10-3-5-12-11(9-10)4-6-13(22-12)15(19)16-8-7-14(18)17-23(2,20)21/h3,5,9,13H,4,6-8H2,1-2H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyCQURRGFOLARRJD-CYBMUJFWSA-N
XLogP0.27
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (CID 124842764) is (2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is Cc1ccc2c(c1)CC[C@H](C(=O)NCCC(=O)NS(C)(=O)=O)O2.
What is the InChIKey of (2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is CQURRGFOLARRJD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10-3-5-12-11(9-10)4-6-13(22-12)15(19)16-8-7-14(18)17-23(2,20)21/h3,5,9,13H,4,6-8H2,1-2H3,(H,16,19)(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
(2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 124842764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).