(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide

C22H28N4O5S — CID 55939369

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(OC3CCCC3)nc2)cc1
InChIInChI=1S/C22H28N4O5S/c1-15(26-32(29,30)20-10-8-18(9-11-20)25-16(2)27)22(28)24-14-17-7-12-21(23-13-17)31-19-5-3-4-6-19/h7-13,15,19,26H,3-6,14H2,1-2H3,(H,24,28)(H,25,27)/t15-/m0/s1
InChIKeyHGOKGQWIKWTDKY-HNNXBMFYSA-N
MW460.56 g/mol
LogP2.34
Rot. Bonds9

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide (PubChem CID 55939369) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide
PubChem CID55939369
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(OC3CCCC3)nc2)cc1
InChIInChI=1S/C22H28N4O5S/c1-15(26-32(29,30)20-10-8-18(9-11-20)25-16(2)27)22(28)24-14-17-7-12-21(23-13-17)31-19-5-3-4-6-19/h7-13,15,19,26H,3-6,14H2,1-2H3,(H,24,28)(H,25,27)/t15-/m0/s1
InChIKeyHGOKGQWIKWTDKY-HNNXBMFYSA-N
XLogP2.34
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261269
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
CID 55939568
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55859267
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55972269
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide
CID 56553247
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
CID 36618447
2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride
CID 119616338
1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 87005295
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide (CID 55939369) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(OC3CCCC3)nc2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide?
The InChIKey is HGOKGQWIKWTDKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-15(26-32(29,30)20-10-8-18(9-11-20)25-16(2)27)22(28)24-14-17-7-12-21(23-13-17)31-19-5-3-4-6-19/h7-13,15,19,26H,3-6,14H2,1-2H3,(H,24,28)(H,25,27)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide has a molecular weight of 460.56 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 55939369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).