N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C15H15FN6O3S2 — CID 56568228

IUPACN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CN(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H15FN6O3S2/c1-10-18-19-20-22(10)11-5-6-12(16)13(8-11)17-14(23)9-21(2)27(24,25)15-4-3-7-26-15/h3-8H,9H2,1-2H3,(H,17,23)
InChIKeyZPLXHSHODMKYBW-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.43
Rot. Bonds6

About N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 56568228) has the molecular formula C15H15FN6O3S2 and a molecular weight of 410.46 g/mol. Its IUPAC name is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID56568228
Molecular FormulaC15H15FN6O3S2
Molecular Weight410.46 g/mol
Exact Mass410.06
IUPAC NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CN(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H15FN6O3S2/c1-10-18-19-20-22(10)11-5-6-12(16)13(8-11)17-14(23)9-21(2)27(24,25)15-4-3-7-26-15/h3-8H,9H2,1-2H3,(H,17,23)
InChIKeyZPLXHSHODMKYBW-UHFFFAOYSA-N
XLogP1.43
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 46564173
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30702107
N-(2,5-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 126458216
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 16559003
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 56568252
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865647
ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate
CID 55643015
2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 56568481
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115594805

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 56568228) is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is Cc1nnnn1-c1ccc(F)c(NC(=O)CN(C)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is ZPLXHSHODMKYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O3S2/c1-10-18-19-20-22(10)11-5-6-12(16)13(8-11)17-14(23)9-21(2)27(24,25)15-4-3-7-26-15/h3-8H,9H2,1-2H3,(H,17,23).
What are the key properties of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 410.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 56568228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).