N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide

C16H19FN2O4S2 — CID 91643878

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)c2ccc(F)c(COC(C)C)c2)s1
InChIInChI=1S/C16H19FN2O4S2/c1-9(2)23-8-13-7-12(5-6-14(13)17)15(20)19-25(21,22)16-10(3)18-11(4)24-16/h5-7,9H,8H2,1-4H3,(H,19,20)
InChIKeyDOFPLMCKVBNNMB-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.94
Rot. Bonds6

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide (PubChem CID 91643878) has the molecular formula C16H19FN2O4S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide
PubChem CID91643878
Molecular FormulaC16H19FN2O4S2
Molecular Weight386.47 g/mol
Exact Mass386.08
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)c2ccc(F)c(COC(C)C)c2)s1
InChIInChI=1S/C16H19FN2O4S2/c1-9(2)23-8-13-7-12(5-6-14(13)17)15(20)19-25(21,22)16-10(3)18-11(4)24-16/h5-7,9H,8H2,1-4H3,(H,19,20)
InChIKeyDOFPLMCKVBNNMB-UHFFFAOYSA-N
XLogP2.94
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide (CID 91643878) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide is Cc1nc(C)c(S(=O)(=O)NC(=O)c2ccc(F)c(COC(C)C)c2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide?
The InChIKey is DOFPLMCKVBNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4S2/c1-9(2)23-8-13-7-12(5-6-14(13)17)15(20)19-25(21,22)16-10(3)18-11(4)24-16/h5-7,9H,8H2,1-4H3,(H,19,20).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide has a molecular weight of 386.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 91643878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).