2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C14H13F3N2O4S2 — CID 7409994

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H13F3N2O4S2/c1-19(25(21,22)13-3-2-8-24-13)9-12(20)18-10-4-6-11(7-5-10)23-14(15,16)17/h2-8H,9H2,1H3,(H,18,20)
InChIKeyBVQYGNMJRIWNID-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.91
Rot. Bonds6

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 7409994) has the molecular formula C14H13F3N2O4S2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID7409994
Molecular FormulaC14H13F3N2O4S2
Molecular Weight394.40 g/mol
Exact Mass394.03
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H13F3N2O4S2/c1-19(25(21,22)13-3-2-8-24-13)9-12(20)18-10-4-6-11(7-5-10)23-14(15,16)17/h2-8H,9H2,1H3,(H,18,20)
InChIKeyBVQYGNMJRIWNID-UHFFFAOYSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(thiophene-2-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 15988672
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16275216
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
N-(4-Methoxyphenyl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
CID 15995263
(2S)-4-(2-chloroacetyl)-N-(4-methoxyphenyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423201
2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1293648
N-cyclohexyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 2089888
N~2~-(4-methoxyphenyl)-N-[2-(phenylsulfanyl)ethyl]-N~2~-(phenylsulfonyl)glycinamide
CID 2283017
N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 2402591
N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 2437957
N~1~-(4-methoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3241065
N~1~-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3242229

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 7409994) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is BVQYGNMJRIWNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S2/c1-19(25(21,22)13-3-2-8-24-13)9-12(20)18-10-4-6-11(7-5-10)23-14(15,16)17/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 394.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 7409994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).