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

C17H21N3O4S — CID 2970358

IUPAC2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H21N3O4S/c1-13-16(7-12-24-13)17(21)18-14-3-5-15(6-4-14)25(22,23)20-10-8-19(2)9-11-20/h3-7,12H,8-11H2,1-2H3,(H,18,21)
InChIKeyONNIDEFRIUOWQP-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.78
Rot. Bonds4

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

2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide (PubChem CID 2970358) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide
PubChem CID2970358
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H21N3O4S/c1-13-16(7-12-24-13)17(21)18-14-3-5-15(6-4-14)25(22,23)20-10-8-19(2)9-11-20/h3-7,12H,8-11H2,1-2H3,(H,18,21)
InChIKeyONNIDEFRIUOWQP-UHFFFAOYSA-N
XLogP1.78
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-methyl-5-(morpholinosulfonyl)-3-furamide
CID 2810589
2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide
CID 896124
5-[(dimethylamino)sulfonyl]-2-methyl-N-phenyl-3-furamide
CID 2809675
N-(4-chlorophenyl)-5-[(dimethylamino)sulfonyl]-2-methyl-3-furamide
CID 2810585
2,5-dimethyl-N-(2-morpholinophenyl)-3-furamide
CID 2811740
N-(4-fluorophenyl)-1-(2-methyl-3-furoyl)-3-piperidinamine
CID 24817365
N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 2354389
N-{4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl}-3-methyl-butyramide
CID 860465
2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide
CID 1245284
(2E)-3-(furan-2-yl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]prop-2-enamide
CID 1326115
(2,5-Dimethylfuran-3-yl)(4-phenylpiperazin-1-yl)methanone
CID 2366104
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2434535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide (CID 2970358) is 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide is Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The InChIKey is ONNIDEFRIUOWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-13-16(7-12-24-13)17(21)18-14-3-5-15(6-4-14)25(22,23)20-10-8-19(2)9-11-20/h3-7,12H,8-11H2,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide?
2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide is sourced from PubChem (CID 2970358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).