(2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen

C27H30N2O4S — CID 167631512

IUPAC(2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen
SMILESO=C(CC(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)CC2CCC2)cc1)c1cccnc1.[H][H]
InChIInChI=1S/C27H28N2O4S.H2/c30-26(22-10-5-15-28-18-22)17-23(16-20-6-2-1-3-7-20)27(31)29-24-11-13-25(14-12-24)34(32,33)19-21-8-4-9-21;/h1-3,5-7,10-15,18,21,23H,4,8-9,16-17,19H2,(H,29,31);1H
InChIKeyNWHIDLMHVFCQOD-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.97
Rot. Bonds10

About (2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen

(2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen (PubChem CID 167631512) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is (2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen.

Molecular Properties

Compound Name(2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen
PubChem CID167631512
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC Name(2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen
SMILESO=C(CC(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)CC2CCC2)cc1)c1cccnc1.[H][H]
InChIInChI=1S/C27H28N2O4S.H2/c30-26(22-10-5-15-28-18-22)17-23(16-20-6-2-1-3-7-20)27(31)29-24-11-13-25(14-12-24)34(32,33)19-21-8-4-9-21;/h1-3,5-7,10-15,18,21,23H,4,8-9,16-17,19H2,(H,29,31);1H
InChIKeyNWHIDLMHVFCQOD-UHFFFAOYSA-N
XLogP4.97
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-benzyl-N-[4-(cyclopentylmethylsulfonyl)phenyl]-4-(5-fluoro-2-pyridinyl)-4-oxobutanamide;molecular hydrogen
CID 167661695
4-[[(2R)-4-(4-fluorophenyl)-4-oxo-2-(pyridin-3-ylmethyl)butanoyl]amino]benzenesulfonyl chloride
CID 167571775
[(1R)-1-[[(2S)-2-benzyl-3-(4-pyridin-3-yloxyphenyl)sulfonylpropanoyl]amino]-2-cyclobutylethyl]boronic acid
CID 153232267
4-anilino-3-benzyl-4-oxobutanoic acid
CID 2909283
[(1R)-1-[[(2R)-2-benzyl-4-oxo-4-(6-phenoxy-3-pyridinyl)butanoyl]amino]-2-cyclobutylethyl]boronic acid
CID 152856233
[(2S,3R)-4-[(4-acetamidophenyl)sulfonyl-(cyclopentylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-(pyridin-3-ylmethyl)carbamic acid
CID 57373314
N-[4-(cyclopropanecarbonyl)phenyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425839
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide
CID 167600345
1-[4-[cyclohexylmethyl(fluoro)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 87075137
(2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 93487007
1-[4-[[3-(2-hydroxyethyl)cyclohexyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140926083

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen?
The IUPAC name of (2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen (CID 167631512) is (2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen.
What is the SMILES notation for (2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen?
The canonical SMILES for (2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen is O=C(CC(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)CC2CCC2)cc1)c1cccnc1.[H][H].
What is the InChIKey of (2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen?
The InChIKey is NWHIDLMHVFCQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S.H2/c30-26(22-10-5-15-28-18-22)17-23(16-20-6-2-1-3-7-20)27(31)29-24-11-13-25(14-12-24)34(32,33)19-21-8-4-9-21;/h1-3,5-7,10-15,18,21,23H,4,8-9,16-17,19H2,(H,29,31);1H.
What are the key properties of (2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen?
(2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen has a molecular weight of 478.61 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-[4-(cyclobutylmethylsulfonyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide;molecular hydrogen is sourced from PubChem (CID 167631512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).