(2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide

C25H43NO3S — CID 20776211

IUPAC(2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCCCCCCCCCCCS(=O)(=O)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C25H43NO3S/c1-5-6-7-8-9-10-11-12-13-14-19-30(28,29)26-25(27)22(4)24-17-15-23(16-18-24)20-21(2)3/h15-18,21-22H,5-14,19-20H2,1-4H3,(H,26,27)/t22-/m1/s1
InChIKeyDJQMAEMKERLLCX-JOCHJYFZSA-N
MW437.69 g/mol
LogP6.36
Rot. Bonds16

About (2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide

(2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 20776211) has the molecular formula C25H43NO3S and a molecular weight of 437.69 g/mol. Its IUPAC name is (2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID20776211
Molecular FormulaC25H43NO3S
Molecular Weight437.69 g/mol
Exact Mass437.30
IUPAC Name(2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCCCCCCCCCCCS(=O)(=O)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C25H43NO3S/c1-5-6-7-8-9-10-11-12-13-14-19-30(28,29)26-25(27)22(4)24-17-15-23(16-18-24)20-21(2)3/h15-18,21-22H,5-14,19-20H2,1-4H3,(H,26,27)/t22-/m1/s1
InChIKeyDJQMAEMKERLLCX-JOCHJYFZSA-N
XLogP6.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.69
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 15274994
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
1-hexadecylpyridin-1-ium;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 69295141
N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 89455397
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
2-[4-(2-methylpropyl)phenyl]propanoic acid;octadec-2-enamide
CID 70386230
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950

Frequently Asked Questions

What is the IUPAC name of (2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide (CID 20776211) is (2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide is CCCCCCCCCCCCS(=O)(=O)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of (2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is DJQMAEMKERLLCX-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H43NO3S/c1-5-6-7-8-9-10-11-12-13-14-19-30(28,29)26-25(27)22(4)24-17-15-23(16-18-24)20-21(2)3/h15-18,21-22H,5-14,19-20H2,1-4H3,(H,26,27)/t22-/m1/s1.
What are the key properties of (2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 437.69 g/mol, XLogP of 6.36, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-dodecylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 20776211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).