3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide

C16H16F2N2O4S2 — CID 41311320

IUPAC3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O4S2/c17-13-3-1-11(9-14(13)18)16(21)19-10-12-2-4-15(25-12)26(22,23)20-5-7-24-8-6-20/h1-4,9H,5-8,10H2,(H,19,21)
InChIKeyZKTVMPPXBNZVLM-UHFFFAOYSA-N
MW402.44 g/mol
LogP1.98
Rot. Bonds5

About 3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide

3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide (PubChem CID 41311320) has the molecular formula C16H16F2N2O4S2 and a molecular weight of 402.44 g/mol. Its IUPAC name is 3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
PubChem CID41311320
Molecular FormulaC16H16F2N2O4S2
Molecular Weight402.44 g/mol
Exact Mass402.05
IUPAC Name3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O4S2/c17-13-3-1-11(9-14(13)18)16(21)19-10-12-2-4-15(25-12)26(22,23)20-5-7-24-8-6-20/h1-4,9H,5-8,10H2,(H,19,21)
InChIKeyZKTVMPPXBNZVLM-UHFFFAOYSA-N
XLogP1.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112330
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
CID 32742505
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53112444
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 41322705
1-methylsulfonyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 41311402
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 41322063
5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 32741753
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 26061202
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 17481811

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide (CID 41311320) is 3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
The InChIKey is ZKTVMPPXBNZVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S2/c17-13-3-1-11(9-14(13)18)16(21)19-10-12-2-4-15(25-12)26(22,23)20-5-7-24-8-6-20/h1-4,9H,5-8,10H2,(H,19,21).
What are the key properties of 3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide has a molecular weight of 402.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 41311320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).