(3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide

C18H24N4O5S — CID 51591703

IUPAC(3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)C[C@@H](C)n1cccn1
InChIInChI=1S/C18H24N4O5S/c1-14(22-7-3-6-19-22)12-18(23)20-16-5-4-15(13-17(16)26-2)28(24,25)21-8-10-27-11-9-21/h3-7,13-14H,8-12H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyFKXMOUABWVBDPT-CQSZACIVSA-N
MW408.48 g/mol
LogP1.50
Rot. Bonds7

About (3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide

(3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide (PubChem CID 51591703) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is (3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide
PubChem CID51591703
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name(3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)C[C@@H](C)n1cccn1
InChIInChI=1S/C18H24N4O5S/c1-14(22-7-3-6-19-22)12-18(23)20-16-5-4-15(13-17(16)26-2)28(24,25)21-8-10-27-11-9-21/h3-7,13-14H,8-12H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyFKXMOUABWVBDPT-CQSZACIVSA-N
XLogP1.50
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2361261
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2480101
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2346465
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 98388003
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2357921
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 5142851
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)propanamide
CID 763228
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23905521

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide (CID 51591703) is (3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide is COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)C[C@@H](C)n1cccn1.
What is the InChIKey of (3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide?
The InChIKey is FKXMOUABWVBDPT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-14(22-7-3-6-19-22)12-18(23)20-16-5-4-15(13-17(16)26-2)28(24,25)21-8-10-27-11-9-21/h3-7,13-14H,8-12H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide?
(3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide has a molecular weight of 408.48 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 51591703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).