3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide

C16H19NO3S2 — CID 96561810

IUPAC3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1
InChIInChI=1S/C16H19NO3S2/c1-11(12-5-7-13(8-6-12)22(4)19)17(2)16(18)15-14(20-3)9-10-21-15/h5-11H,1-4H3/t11-,22+/m0/s1
InChIKeyCUXUNQWKFPXZEM-KPWVOAKYSA-N
MW337.47 g/mol
LogP3.33
Rot. Bonds5

About 3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide

3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide (PubChem CID 96561810) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide
PubChem CID96561810
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1
InChIInChI=1S/C16H19NO3S2/c1-11(12-5-7-13(8-6-12)22(4)19)17(2)16(18)15-14(20-3)9-10-21-15/h5-11H,1-4H3/t11-,22+/m0/s1
InChIKeyCUXUNQWKFPXZEM-KPWVOAKYSA-N
XLogP3.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]thiophene-2-carboxamide
CID 71982592
N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]but-2-ynamide
CID 146083763
3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61107639
1-methyl-1-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-3-[(E)-pent-3-enyl]urea
CID 96834659
N,3-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 34734892
4-bromo-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-3-nitrobenzamide
CID 96523716
N-methyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 96561845
2-chloro-N-methyl-N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-4-sulfamoylbenzamide
CID 124742673
2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone
CID 103513670
4-[[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 136550721
2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
CID 113264821
2,5-dimethoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 43022056

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide (CID 96561810) is 3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide is COc1ccsc1C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1.
What is the InChIKey of 3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide?
The InChIKey is CUXUNQWKFPXZEM-KPWVOAKYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-11(12-5-7-13(8-6-12)22(4)19)17(2)16(18)15-14(20-3)9-10-21-15/h5-11H,1-4H3/t11-,22+/m0/s1.
What are the key properties of 3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide?
3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 96561810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).