N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide

C14H13F2NO2S — CID 38524814

IUPACN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](O)c2ccc(F)cc2F)s1
InChIInChI=1S/C14H13F2NO2S/c1-8-2-5-13(20-8)14(19)17-7-12(18)10-4-3-9(15)6-11(10)16/h2-6,12,18H,7H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyXUDNICAIZRBFHS-GFCCVEGCSA-N
MW297.33 g/mol
LogP2.80
Rot. Bonds4

About N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide

N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide (PubChem CID 38524814) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
PubChem CID38524814
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC NameN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](O)c2ccc(F)cc2F)s1
InChIInChI=1S/C14H13F2NO2S/c1-8-2-5-13(20-8)14(19)17-7-12(18)10-4-3-9(15)6-11(10)16/h2-6,12,18H,7H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyXUDNICAIZRBFHS-GFCCVEGCSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 38525076
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
N-(2,5-difluorophenyl)-5-methylthiophene-2-carboxamide
CID 16583786
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31458228
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide (CID 38524814) is N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC[C@@H](O)c2ccc(F)cc2F)s1.
What is the InChIKey of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is XUDNICAIZRBFHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-8-2-5-13(20-8)14(19)17-7-12(18)10-4-3-9(15)6-11(10)16/h2-6,12,18H,7H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 38524814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).