1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide

C14H14F3NO4S2 — CID 153328395

IUPAC1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(c2ccsc2CO)S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO4S2/c1-22-11-4-2-10(3-5-11)8-18(24(20,21)14(15,16)17)12-6-7-23-13(12)9-19/h2-7,19H,8-9H2,1H3
InChIKeyUDTQFTOTYICPEO-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.11
Rot. Bonds6

About 1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide

1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 153328395) has the molecular formula C14H14F3NO4S2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide
PubChem CID153328395
Molecular FormulaC14H14F3NO4S2
Molecular Weight381.40 g/mol
Exact Mass381.03
IUPAC Name1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(c2ccsc2CO)S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO4S2/c1-22-11-4-2-10(3-5-11)8-18(24(20,21)14(15,16)17)12-6-7-23-13(12)9-19/h2-7,19H,8-9H2,1H3
InChIKeyUDTQFTOTYICPEO-UHFFFAOYSA-N
XLogP3.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-[(4-methoxyphenyl)methyl-(trifluoromethylsulfonyl)amino]thiophene-2-carboxylate
CID 153328396
N-[2-(bromomethyl)thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 153328399
[4-[(4-Methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridin-7-yl] trifluoromethanesulfonate
CID 175780409
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61298639
N-[(3-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine
CID 66349710
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine
CID 66350149
N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine
CID 66351002
N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
CID 66351678
N-[[4-(difluoromethoxy)phenyl]methyl]thiophen-3-amine
CID 66352542
N-[(2-fluoro-4-methoxyphenyl)methyl]thiophen-3-amine
CID 102876485
1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide
CID 159156885
7-Hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one
CID 175780449

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide (CID 153328395) is 1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide is COc1ccc(CN(c2ccsc2CO)S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is UDTQFTOTYICPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO4S2/c1-22-11-4-2-10(3-5-11)8-18(24(20,21)14(15,16)17)12-6-7-23-13(12)9-19/h2-7,19H,8-9H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 381.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(hydroxymethyl)thiophen-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 153328395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).