4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

C22H23FN2O4S2 — CID 27702570

IUPAC4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)sc2cccc(F)c12
InChIInChI=1S/C22H23FN2O4S2/c1-15-20-18(23)7-4-8-19(20)30-21(15)22(26)24-13-16-5-2-3-6-17(16)14-31(27,28)25-9-11-29-12-10-25/h2-8H,9-14H2,1H3,(H,24,26)
InChIKeyNQTXPXUCNRDHHC-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.44
Rot. Bonds6

About 4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 27702570) has the molecular formula C22H23FN2O4S2 and a molecular weight of 462.57 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID27702570
Molecular FormulaC22H23FN2O4S2
Molecular Weight462.57 g/mol
Exact Mass462.11
IUPAC Name4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)sc2cccc(F)c12
InChIInChI=1S/C22H23FN2O4S2/c1-15-20-18(23)7-4-8-19(20)30-21(15)22(26)24-13-16-5-2-3-6-17(16)14-31(27,28)25-9-11-29-12-10-25/h2-8H,9-14H2,1H3,(H,24,26)
InChIKeyNQTXPXUCNRDHHC-UHFFFAOYSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38542555
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
1-[(2-fluorophenyl)methyl]-2-methyl-3-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]guanidine
CID 111266623
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-nitrobenzamide
CID 16960953
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide (CID 27702570) is 4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NQTXPXUCNRDHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S2/c1-15-20-18(23)7-4-8-19(20)30-21(15)22(26)24-13-16-5-2-3-6-17(16)14-31(27,28)25-9-11-29-12-10-25/h2-8H,9-14H2,1H3,(H,24,26).
What are the key properties of 4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 27702570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).