2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide

C19H19NO3S — CID 95928350

IUPAC2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C[S@@](C)=O)c2)Cc2ccccc2O1
InChIInChI=1S/C19H19NO3S/c1-13-17(11-15-7-3-4-9-18(15)23-13)19(21)20-16-8-5-6-14(10-16)12-24(2)22/h3-10H,11-12H2,1-2H3,(H,20,21)/t24-/m1/s1
InChIKeyLCENADLSDPQRKY-XMMPIXPASA-N
MW341.43 g/mol
LogP3.41
Rot. Bonds4

About 2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide

2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide (PubChem CID 95928350) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide
PubChem CID95928350
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C[S@@](C)=O)c2)Cc2ccccc2O1
InChIInChI=1S/C19H19NO3S/c1-13-17(11-15-7-3-4-9-18(15)23-13)19(21)20-16-8-5-6-14(10-16)12-24(2)22/h3-10H,11-12H2,1-2H3,(H,20,21)/t24-/m1/s1
InChIKeyLCENADLSDPQRKY-XMMPIXPASA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-4H-chromene-3-carboxamide
CID 71866761
2-[2-[3-[[(S)-methylsulfinyl]methyl]anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
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2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
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(2S)-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-2,3-dihydro-1,4-benzoxathiine-2-carboxamide
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CID 18146301
1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119327475
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
tert-butyl N-[3-(methylsulfinylmethyl)phenyl]carbamate
CID 169088988
3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119790386
N-[3-[[(S)-methylsulfinyl]methyl]phenyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 95928348
N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide
CID 46678639
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide (CID 95928350) is 2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide is CC1=C(C(=O)Nc2cccc(C[S@@](C)=O)c2)Cc2ccccc2O1.
What is the InChIKey of 2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide?
The InChIKey is LCENADLSDPQRKY-XMMPIXPASA-N. The full InChI is InChI=1S/C19H19NO3S/c1-13-17(11-15-7-3-4-9-18(15)23-13)19(21)20-16-8-5-6-14(10-16)12-24(2)22/h3-10H,11-12H2,1-2H3,(H,20,21)/t24-/m1/s1.
What are the key properties of 2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide?
2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide is sourced from PubChem (CID 95928350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).