4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide

C16H17F3N2O3S3 — CID 167766558

IUPAC4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
SMILESCN(CCCC(=O)Nc1ccccc1SC(F)(F)F)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H17F3N2O3S3/c1-21(27(23,24)15-9-5-11-25-15)10-4-8-14(22)20-12-6-2-3-7-13(12)26-16(17,18)19/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,20,22)
InChIKeyDTHIDZGGJFNBHC-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.40
Rot. Bonds8

About 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide

4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide (PubChem CID 167766558) has the molecular formula C16H17F3N2O3S3 and a molecular weight of 438.52 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
PubChem CID167766558
Molecular FormulaC16H17F3N2O3S3
Molecular Weight438.52 g/mol
Exact Mass438.04
IUPAC Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
SMILESCN(CCCC(=O)Nc1ccccc1SC(F)(F)F)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H17F3N2O3S3/c1-21(27(23,24)15-9-5-11-25-15)10-4-8-14(22)20-12-6-2-3-7-13(12)26-16(17,18)19/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,20,22)
InChIKeyDTHIDZGGJFNBHC-UHFFFAOYSA-N
XLogP4.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24681923
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 17440887
N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596245
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 134011784
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-(2-benzylsulfanylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 16561464
N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 42930432
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24593558
N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596037
N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 18138818

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
The IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide (CID 167766558) is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide.
What is the SMILES notation for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
The canonical SMILES for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide is CN(CCCC(=O)Nc1ccccc1SC(F)(F)F)S(=O)(=O)c1cccs1.
What is the InChIKey of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
The InChIKey is DTHIDZGGJFNBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3S3/c1-21(27(23,24)15-9-5-11-25-15)10-4-8-14(22)20-12-6-2-3-7-13(12)26-16(17,18)19/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,20,22).
What are the key properties of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide has a molecular weight of 438.52 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide is sourced from PubChem (CID 167766558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).