N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

C20H21N3O2S — CID 50978311

IUPACN-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)c1ccc(CSc2ncccn2)o1
InChIInChI=1S/C20H21N3O2S/c1-23(14-5-9-16-7-3-2-4-8-16)19(24)18-11-10-17(25-18)15-26-20-21-12-6-13-22-20/h2-4,6-8,10-13H,5,9,14-15H2,1H3
InChIKeyNBJIOFVCJOHRSW-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.07
Rot. Bonds8

About N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide (PubChem CID 50978311) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
PubChem CID50978311
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)c1ccc(CSc2ncccn2)o1
InChIInChI=1S/C20H21N3O2S/c1-23(14-5-9-16-7-3-2-4-8-16)19(24)18-11-10-17(25-18)15-26-20-21-12-6-13-22-20/h2-4,6-8,10-13H,5,9,14-15H2,1H3
InChIKeyNBJIOFVCJOHRSW-UHFFFAOYSA-N
XLogP4.07
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50965704
N-(2-aminoethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 120886036
5-chloro-N-methyl-N-(2-phenylethyl)furan-2-carboxamide
CID 103612110
N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 120649588
5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120688951
4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide
CID 43588600
N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50950921
N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50983086
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592
N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56873346
4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide
CID 60793876
N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide
CID 52714765

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide (CID 50978311) is N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide is CN(CCCc1ccccc1)C(=O)c1ccc(CSc2ncccn2)o1.
What is the InChIKey of N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is NBJIOFVCJOHRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-23(14-5-9-16-7-3-2-4-8-16)19(24)18-11-10-17(25-18)15-26-20-21-12-6-13-22-20/h2-4,6-8,10-13H,5,9,14-15H2,1H3.
What are the key properties of N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 50978311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).