2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide

C13H11ClF2N2O3S2 — CID 51158900

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClF2N2O3S2/c1-18(23(20,21)12-6-5-10(14)22-12)7-11(19)17-13-8(15)3-2-4-9(13)16/h2-6H,7H2,1H3,(H,17,19)
InChIKeyMUEUMKXPLAQRFO-UHFFFAOYSA-N
MW380.83 g/mol
LogP2.94
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 51158900) has the molecular formula C13H11ClF2N2O3S2 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
PubChem CID51158900
Molecular FormulaC13H11ClF2N2O3S2
Molecular Weight380.83 g/mol
Exact Mass379.99
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClF2N2O3S2/c1-18(23(20,21)12-6-5-10(14)22-12)7-11(19)17-13-8(15)3-2-4-9(13)16/h2-6H,7H2,1H3,(H,17,19)
InChIKeyMUEUMKXPLAQRFO-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 30160286
N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46584820
N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide
CID 38204108
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide
CID 55656231
methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38238252
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750268

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide (CID 51158900) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide is CN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is MUEUMKXPLAQRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O3S2/c1-18(23(20,21)12-6-5-10(14)22-12)7-11(19)17-13-8(15)3-2-4-9(13)16/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 380.83 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 51158900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).