2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide

C17H20N4O3S — CID 26353881

IUPAC2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cnn(-c2ccc(C(=O)N3CCSCC3)cc2)c1
InChIInChI=1S/C17H20N4O3S/c1-24-12-16(22)19-14-10-18-21(11-14)15-4-2-13(3-5-15)17(23)20-6-8-25-9-7-20/h2-5,10-11H,6-9,12H2,1H3,(H,19,22)
InChIKeySKDDQJKVAXXSJK-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.65
Rot. Bonds5

About 2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide

2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide (PubChem CID 26353881) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
PubChem CID26353881
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cnn(-c2ccc(C(=O)N3CCSCC3)cc2)c1
InChIInChI=1S/C17H20N4O3S/c1-24-12-16(22)19-14-10-18-21(11-14)15-4-2-13(3-5-15)17(23)20-6-8-25-9-7-20/h2-5,10-11H,6-9,12H2,1H3,(H,19,22)
InChIKeySKDDQJKVAXXSJK-UHFFFAOYSA-N
XLogP1.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 25296478
4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide
CID 42189621
2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46535527
N-[1-[4-[(3R)-3-phenylpiperidine-1-carbonyl]phenyl]pyrazol-4-yl]acetamide
CID 42163849
N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide
CID 45201102
[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 55774534
2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119753037
2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53168028
N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide
CID 73440703
2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 117079181
2-(methylamino)-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470511
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide (CID 26353881) is 2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide is COCC(=O)Nc1cnn(-c2ccc(C(=O)N3CCSCC3)cc2)c1.
What is the InChIKey of 2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide?
The InChIKey is SKDDQJKVAXXSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-24-12-16(22)19-14-10-18-21(11-14)15-4-2-13(3-5-15)17(23)20-6-8-25-9-7-20/h2-5,10-11H,6-9,12H2,1H3,(H,19,22).
What are the key properties of 2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide?
2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 26353881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).