N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide

C18H29NO3S — CID 86943979

IUPACN-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NS(=O)(=O)CCC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29NO3S/c1-14(2)16(15-9-7-6-8-10-15)13-17(20)19-23(21,22)12-11-18(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,19,20)
InChIKeyLIBCQBSABPDTIQ-UHFFFAOYSA-N
MW339.50 g/mol
LogP3.70
Rot. Bonds7

About N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide

N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide (PubChem CID 86943979) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide
PubChem CID86943979
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC NameN-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NS(=O)(=O)CCC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29NO3S/c1-14(2)16(15-9-7-6-8-10-15)13-17(20)19-23(21,22)12-11-18(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,19,20)
InChIKeyLIBCQBSABPDTIQ-UHFFFAOYSA-N
XLogP3.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide
CID 86943976
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-phenylpentanamide
CID 120654213
4-methyl-3-phenylpentanoic acid
CID 3249521
(3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide
CID 99696732
N-(3,3-dimethylbutylsulfonyl)-2-phenylsulfanylbutanamide
CID 86943964
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide
CID 110408468
4-methyl-3-phenylpentanamide
CID 66616845
(3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide
CID 124850886
4,4-dichloro-3-phenyl-N-propan-2-ylbutanamide
CID 11265788
1-(2,2-dimethylpropyl)-3-(3-methyl-2-phenylbutyl)urea
CID 112840322

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide?
The IUPAC name of N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide (CID 86943979) is N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide.
What is the SMILES notation for N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide?
The canonical SMILES for N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide is CC(C)C(CC(=O)NS(=O)(=O)CCC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide?
The InChIKey is LIBCQBSABPDTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-14(2)16(15-9-7-6-8-10-15)13-17(20)19-23(21,22)12-11-18(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,19,20).
What are the key properties of N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide?
N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide has a molecular weight of 339.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide is sourced from PubChem (CID 86943979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).