2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide

C18H21FN2O5S — CID 2450711

IUPAC2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)o1
InChIInChI=1S/C18H21FN2O5S/c1-13-3-4-14(26-13)12-20(2)18(22)16-11-15(5-6-17(16)19)27(23,24)21-7-9-25-10-8-21/h3-6,11H,7-10,12H2,1-2H3
InChIKeyVNKYPBBNQPXRTF-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.02
Rot. Bonds5

About 2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide

2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2450711) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2450711
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC Name2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)o1
InChIInChI=1S/C18H21FN2O5S/c1-13-3-4-14(26-13)12-20(2)18(22)16-11-15(5-6-17(16)19)27(23,24)21-7-9-25-10-8-21/h3-6,11H,7-10,12H2,1-2H3
InChIKeyVNKYPBBNQPXRTF-UHFFFAOYSA-N
XLogP2.02
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 2800757
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmethyl-N-(phenethylcarbamoyl-methyl)-acetamide
CID 653223
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
[4-(4-Fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 2238809
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2355620
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(2-furylmethyl)piperazine
CID 17376577
N-Furan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1044182
1-[(4-Butylphenyl)sulfonyl]-4-(2-furoyl)piperazine
CID 3554017
2-Furanyl-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone
CID 3846584
N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide (CID 2450711) is 2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)o1.
What is the InChIKey of 2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VNKYPBBNQPXRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-13-3-4-14(26-13)12-20(2)18(22)16-11-15(5-6-17(16)19)27(23,24)21-7-9-25-10-8-21/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 396.44 g/mol, XLogP of 2.02, 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-N-[(5-methylfuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2450711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).