(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide

C22H25N5O5S — CID 55968780

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(OCCn3cccn3)c2)cc1
InChIInChI=1S/C22H25N5O5S/c1-16(26-33(30,31)21-9-7-18(8-10-21)24-17(2)28)22(29)25-19-5-3-6-20(15-19)32-14-13-27-12-4-11-23-27/h3-12,15-16,26H,13-14H2,1-2H3,(H,24,28)(H,25,29)/t16-/m0/s1
InChIKeyMYOVDSUMHAFZFU-INIZCTEOSA-N
MW471.54 g/mol
LogP2.23
Rot. Bonds10

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide (PubChem CID 55968780) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
PubChem CID55968780
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(OCCn3cccn3)c2)cc1
InChIInChI=1S/C22H25N5O5S/c1-16(26-33(30,31)21-9-7-18(8-10-21)24-17(2)28)22(29)25-19-5-3-6-20(15-19)32-14-13-27-12-4-11-23-27/h3-12,15-16,26H,13-14H2,1-2H3,(H,24,28)(H,25,29)/t16-/m0/s1
InChIKeyMYOVDSUMHAFZFU-INIZCTEOSA-N
XLogP2.23
TPSA131.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55881225
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55968651
[3-(ethoxycarbonylamino)phenyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55944046
methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate
CID 55900967
2-fluoro-N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylethoxy)anilino]butan-2-yl]benzamide
CID 55767418
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 24536242
1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
CID 87027340
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide
CID 55767322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide (CID 55968780) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(OCCn3cccn3)c2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
The InChIKey is MYOVDSUMHAFZFU-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-16(26-33(30,31)21-9-7-18(8-10-21)24-17(2)28)22(29)25-19-5-3-6-20(15-19)32-14-13-27-12-4-11-23-27/h3-12,15-16,26H,13-14H2,1-2H3,(H,24,28)(H,25,29)/t16-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide has a molecular weight of 471.54 g/mol, XLogP of 2.23, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide is sourced from PubChem (CID 55968780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).