N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide

C20H27N3O2S — CID 74232354

IUPACN-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide
SMILESCSc1cccc(CN(C)C(=O)c2ccc(CN3CCN(C)CC3)o2)c1
InChIInChI=1S/C20H27N3O2S/c1-21-9-11-23(12-10-21)15-17-7-8-19(25-17)20(24)22(2)14-16-5-4-6-18(13-16)26-3/h4-8,13H,9-12,14-15H2,1-3H3
InChIKeyWYAVBRURLDHHDK-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.02
Rot. Bonds6

About N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide

N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide (PubChem CID 74232354) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide
PubChem CID74232354
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide
SMILESCSc1cccc(CN(C)C(=O)c2ccc(CN3CCN(C)CC3)o2)c1
InChIInChI=1S/C20H27N3O2S/c1-21-9-11-23(12-10-21)15-17-7-8-19(25-17)20(24)22(2)14-16-5-4-6-18(13-16)26-3/h4-8,13H,9-12,14-15H2,1-3H3
InChIKeyWYAVBRURLDHHDK-UHFFFAOYSA-N
XLogP3.02
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-benzyl-N-methylfuran-2-carboxamide
CID 42858775
N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 131948127
3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide
CID 74246309
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 124758405
2-[(2R)-1,4-dimethylpiperazin-2-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 124758406
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 74241448
1-methyl-1-[(3-methylsulfanylphenyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 121498866
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 91833363
N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide
CID 50983656
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
3-[(3S)-1-ethylpiperidin-3-yl]-1-methyl-1-[(3-methylsulfanylphenyl)methyl]urea
CID 125437297
3-[(3R)-1-ethylpiperidin-3-yl]-1-methyl-1-[(3-methylsulfanylphenyl)methyl]urea
CID 125437298

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide (CID 74232354) is N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide is CSc1cccc(CN(C)C(=O)c2ccc(CN3CCN(C)CC3)o2)c1.
What is the InChIKey of N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide?
The InChIKey is WYAVBRURLDHHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-21-9-11-23(12-10-21)15-17-7-8-19(25-17)20(24)22(2)14-16-5-4-6-18(13-16)26-3/h4-8,13H,9-12,14-15H2,1-3H3.
What are the key properties of N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide?
N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 74232354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).