N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide

C16H18FN3O3S2 — CID 99817300

IUPACN-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N[C@@H](c2ncc(C)s2)C2CC2)ccc1F
InChIInChI=1S/C16H18FN3O3S2/c1-9-8-18-16(24-9)15(11-3-4-11)20-25(22,23)12-5-6-13(17)14(7-12)19-10(2)21/h5-8,11,15,20H,3-4H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyBAYPWIXYOPDVLE-OAHLLOKOSA-N
MW383.47 g/mol
LogP2.98
Rot. Bonds6

About N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide

N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide (PubChem CID 99817300) has the molecular formula C16H18FN3O3S2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide
PubChem CID99817300
Molecular FormulaC16H18FN3O3S2
Molecular Weight383.47 g/mol
Exact Mass383.08
IUPAC NameN-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N[C@@H](c2ncc(C)s2)C2CC2)ccc1F
InChIInChI=1S/C16H18FN3O3S2/c1-9-8-18-16(24-9)15(11-3-4-11)20-25(22,23)12-5-6-13(17)14(7-12)19-10(2)21/h5-8,11,15,20H,3-4H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyBAYPWIXYOPDVLE-OAHLLOKOSA-N
XLogP2.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide (CID 99817300) is N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)N[C@@H](c2ncc(C)s2)C2CC2)ccc1F.
What is the InChIKey of N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide?
The InChIKey is BAYPWIXYOPDVLE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18FN3O3S2/c1-9-8-18-16(24-9)15(11-3-4-11)20-25(22,23)12-5-6-13(17)14(7-12)19-10(2)21/h5-8,11,15,20H,3-4H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide?
N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 99817300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).