N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide

C14H13F2NOS — CID 41096263

IUPACN-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H13F2NOS/c1-8-3-6-13(19-8)14(18)17-9(2)10-4-5-11(15)12(16)7-10/h3-7,9H,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyGMSUQBGCYPJONA-VIFPVBQESA-N
MW281.33 g/mol
LogP3.83
Rot. Bonds3

About N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide

N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 41096263) has the molecular formula C14H13F2NOS and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID41096263
Molecular FormulaC14H13F2NOS
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC NameN-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H13F2NOS/c1-8-3-6-13(19-8)14(18)17-9(2)10-4-5-11(15)12(16)7-10/h3-7,9H,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyGMSUQBGCYPJONA-VIFPVBQESA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18112632
N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414
N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 17326902
5-methyl-N-[(1R)-1-pyridin-4-ylethyl]thiophene-2-carboxamide
CID 34759113
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
N-[1-(3,4-difluorophenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 24503597
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 62073815
N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522444
1-amino-N-[1-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119686347
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 93247266

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide (CID 41096263) is N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)s1.
What is the InChIKey of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is GMSUQBGCYPJONA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F2NOS/c1-8-3-6-13(19-8)14(18)17-9(2)10-4-5-11(15)12(16)7-10/h3-7,9H,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 41096263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).