N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

C23H22FN3O3S2 — CID 93133050

IUPACN-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)c1cccs1
InChIInChI=1S/C23H22FN3O3S2/c1-30-11-10-26(23(29)21-9-5-13-32-21)15-22(28)27-19(20-8-4-12-31-20)14-18(25-27)16-6-2-3-7-17(16)24/h2-9,12-13,19H,10-11,14-15H2,1H3/t19-/m0/s1
InChIKeyGYAAFHGIMHFXRF-IBGZPJMESA-N
MW471.58 g/mol
LogP4.42
Rot. Bonds8

About N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 93133050) has the molecular formula C23H22FN3O3S2 and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID93133050
Molecular FormulaC23H22FN3O3S2
Molecular Weight471.58 g/mol
Exact Mass471.11
IUPAC NameN-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)c1cccs1
InChIInChI=1S/C23H22FN3O3S2/c1-30-11-10-26(23(29)21-9-5-13-32-21)15-22(28)27-19(20-8-4-12-31-20)14-18(25-27)16-6-2-3-7-17(16)24/h2-9,12-13,19H,10-11,14-15H2,1H3/t19-/m0/s1
InChIKeyGYAAFHGIMHFXRF-IBGZPJMESA-N
XLogP4.42
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 98440422
N-[2-[(3S)-3-(2-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 93133402
N-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 93131209
N-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 93131200
N-[2-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 51067971
2-chloro-N-[2-[(3R)-3-(2-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 93129796
N-[2-[(3S)-3-(2,5-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 98373525
N-[2-[(3R)-5-(2-fluorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 93131479
2-fluoro-N-(2-methoxyethyl)-N-[2-[(3S)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]benzamide
CID 93131158
N-[2-[(3S)-3-(2,5-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 98176637
N-[2-[(3S)-3-(2,5-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 98409240
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-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 93133050) is N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is GYAAFHGIMHFXRF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22FN3O3S2/c1-30-11-10-26(23(29)21-9-5-13-32-21)15-22(28)27-19(20-8-4-12-31-20)14-18(25-27)16-6-2-3-7-17(16)24/h2-9,12-13,19H,10-11,14-15H2,1H3/t19-/m0/s1.
What are the key properties of N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-5-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 93133050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).