2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

C17H19FN2O4S2 — CID 4827066

IUPAC2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C17H19FN2O4S2/c1-19(12-13-3-2-10-25-13)17(21)15-11-14(4-5-16(15)18)26(22,23)20-6-8-24-9-7-20/h2-5,10-11H,6-9,12H2,1H3
InChIKeyNIDRIKFXZTWWDL-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.18
Rot. Bonds5

About 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 4827066) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID4827066
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C17H19FN2O4S2/c1-19(12-13-3-2-10-25-13)17(21)15-11-14(4-5-16(15)18)26(22,23)20-6-8-24-9-7-20/h2-5,10-11H,6-9,12H2,1H3
InChIKeyNIDRIKFXZTWWDL-UHFFFAOYSA-N
XLogP2.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 4827066) is 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is CN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is NIDRIKFXZTWWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c1-19(12-13-3-2-10-25-13)17(21)15-11-14(4-5-16(15)18)26(22,23)20-6-8-24-9-7-20/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 398.48 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 4827066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).