2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide

C18H22N2O4S — CID 28536842

IUPAC2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-7-10-20(11-8-13)25(22,23)16-5-3-15(4-6-16)19-18(21)17-9-12-24-14(17)2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyHVADLIZAELNOGW-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.26
Rot. Bonds4

About 2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide

2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide (PubChem CID 28536842) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
PubChem CID28536842
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-7-10-20(11-8-13)25(22,23)16-5-3-15(4-6-16)19-18(21)17-9-12-24-14(17)2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyHVADLIZAELNOGW-UHFFFAOYSA-N
XLogP3.26
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574
2-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-nitrobenzamide
CID 26862516
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide
CID 33075683
(1S)-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738317

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide (CID 28536842) is 2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide is Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The InChIKey is HVADLIZAELNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-7-10-20(11-8-13)25(22,23)16-5-3-15(4-6-16)19-18(21)17-9-12-24-14(17)2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide?
2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide is sourced from PubChem (CID 28536842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).