2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide

C18H16FN3O3S2 — CID 90627861

IUPAC2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(F)c1)NCc1cncc(-c2ccsc2)c1
InChIInChI=1S/C18H16FN3O3S2/c19-16-2-1-3-17(7-16)27(24,25)22-11-18(23)21-9-13-6-15(10-20-8-13)14-4-5-26-12-14/h1-8,10,12,22H,9,11H2,(H,21,23)
InChIKeyFCOLECDIZIXAKC-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.54
Rot. Bonds7

About 2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide

2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide (PubChem CID 90627861) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
PubChem CID90627861
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC Name2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(F)c1)NCc1cncc(-c2ccsc2)c1
InChIInChI=1S/C18H16FN3O3S2/c19-16-2-1-3-17(7-16)27(24,25)22-11-18(23)21-9-13-6-15(10-20-8-13)14-4-5-26-12-14/h1-8,10,12,22H,9,11H2,(H,21,23)
InChIKeyFCOLECDIZIXAKC-UHFFFAOYSA-N
XLogP2.54
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002
2-[(3-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2445848
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627965
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
CID 90627962
2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 112993090
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 90627839
2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627949
4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627855
2,4,6-trimethyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 90628068
N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide
CID 71987649
1-(1-adamantyl)-3-[(5-thiophen-3-yl-3-pyridinyl)methyl]urea
CID 90628030

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide (CID 90627861) is 2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide is O=C(CNS(=O)(=O)c1cccc(F)c1)NCc1cncc(-c2ccsc2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is FCOLECDIZIXAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c19-16-2-1-3-17(7-16)27(24,25)22-11-18(23)21-9-13-6-15(10-20-8-13)14-4-5-26-12-14/h1-8,10,12,22H,9,11H2,(H,21,23).
What are the key properties of 2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 90627861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).