N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide

C23H24N4O3S — CID 25341089

IUPACN,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
SMILESCc1ccc(C2=NN(C(=O)CNc3ccc(C(=O)N(C)C)cc3)[C@@H](c3cccs3)C2)o1
InChIInChI=1S/C23H24N4O3S/c1-15-6-11-20(30-15)18-13-19(21-5-4-12-31-21)27(25-18)22(28)14-24-17-9-7-16(8-10-17)23(29)26(2)3/h4-12,19,24H,13-14H2,1-3H3/t19-/m1/s1
InChIKeyUIFMPJZLUKGLHW-LJQANCHMSA-N
MW436.54 g/mol
LogP4.14
Rot. Bonds6

About N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide

N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide (PubChem CID 25341089) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
PubChem CID25341089
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
SMILESCc1ccc(C2=NN(C(=O)CNc3ccc(C(=O)N(C)C)cc3)[C@@H](c3cccs3)C2)o1
InChIInChI=1S/C23H24N4O3S/c1-15-6-11-20(30-15)18-13-19(21-5-4-12-31-21)27(25-18)22(28)14-24-17-9-7-16(8-10-17)23(29)26(2)3/h4-12,19,24H,13-14H2,1-3H3/t19-/m1/s1
InChIKeyUIFMPJZLUKGLHW-LJQANCHMSA-N
XLogP4.14
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylanilino)-1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 94866420
2-(2,6-dimethylanilino)-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 119032207
2-(4-acetylanilino)-1-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 25385444
1-[(3S)-5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 100659692
N-[4-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 41099323
2-chloro-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 4961662
2-chloro-1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 930024
2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
CID 134022556
[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 42984190
1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone
CID 51171797
1-[5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 47081862
1-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 18359788

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide (CID 25341089) is N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide is Cc1ccc(C2=NN(C(=O)CNc3ccc(C(=O)N(C)C)cc3)[C@@H](c3cccs3)C2)o1.
What is the InChIKey of N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The InChIKey is UIFMPJZLUKGLHW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-15-6-11-20(30-15)18-13-19(21-5-4-12-31-21)27(25-18)22(28)14-24-17-9-7-16(8-10-17)23(29)26(2)3/h4-12,19,24H,13-14H2,1-3H3/t19-/m1/s1.
What are the key properties of N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide has a molecular weight of 436.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[(3R)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 25341089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).