N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide

C20H25N3O3S2 — CID 83287701

IUPACN-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
SMILESCCC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)CC1c1sccc1C
InChIInChI=1S/C20H25N3O3S2/c1-4-18(24)22(8-9-26-3)13-19(25)23-16(20-14(2)7-11-28-20)12-15(21-23)17-6-5-10-27-17/h5-7,10-11,16H,4,8-9,12-13H2,1-3H3
InChIKeyCJJBZCSKGLQIKL-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.68
Rot. Bonds8

About N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide

N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide (PubChem CID 83287701) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
PubChem CID83287701
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC NameN-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
SMILESCCC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)CC1c1sccc1C
InChIInChI=1S/C20H25N3O3S2/c1-4-18(24)22(8-9-26-3)13-19(25)23-16(20-14(2)7-11-28-20)12-15(21-23)17-6-5-10-27-17/h5-7,10-11,16H,4,8-9,12-13H2,1-3H3
InChIKeyCJJBZCSKGLQIKL-UHFFFAOYSA-N
XLogP3.68
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
CID 93129615
N-(2-methoxyethyl)-N-[2-[(3S)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
CID 93129614
1-(2-methoxyethyl)-1-[2-[(3S)-3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 93131614
N-[2-[(3R)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 93131037
N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 51067698
1-(2-methoxyethyl)-1-[2-[(3R)-3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 98389630
N-[2-[3-(2-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 83284129
N-[2-[(3S)-3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 93130982
N-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 93131072
N-[2-[(3R)-3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 93130971
N-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 93131111
N-[2-[(3S)-3-(2-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 93129791

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide (CID 83287701) is N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide is CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)CC1c1sccc1C.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide?
The InChIKey is CJJBZCSKGLQIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-4-18(24)22(8-9-26-3)13-19(25)23-16(20-14(2)7-11-28-20)12-15(21-23)17-6-5-10-27-17/h5-7,10-11,16H,4,8-9,12-13H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide?
N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide has a molecular weight of 419.57 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 83287701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).