3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide

C18H22N2O5S — CID 17408204

IUPAC3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H22N2O5S/c1-14-6-9-25-17(14)18(21)19-12-15-4-2-3-5-16(15)13-26(22,23)20-7-10-24-11-8-20/h2-6,9H,7-8,10-13H2,1H3,(H,19,21)
InChIKeyZKPTUCLFJNHNGS-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.68
Rot. Bonds6

About 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide

3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 17408204) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID17408204
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H22N2O5S/c1-14-6-9-25-17(14)18(21)19-12-15-4-2-3-5-16(15)13-26(22,23)20-7-10-24-11-8-20/h2-6,9H,7-8,10-13H2,1H3,(H,19,21)
InChIKeyZKPTUCLFJNHNGS-UHFFFAOYSA-N
XLogP1.68
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119697580
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 24551435
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
N-[2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24553156
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119275552

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide (CID 17408204) is 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is ZKPTUCLFJNHNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-14-6-9-25-17(14)18(21)19-12-15-4-2-3-5-16(15)13-26(22,23)20-7-10-24-11-8-20/h2-6,9H,7-8,10-13H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide?
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 17408204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).