4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide

C19H30N2O4S — CID 94088031

IUPAC4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCC[C@H](C)NC(=O)CS(=O)(=O)CCCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H30N2O4S/c1-6-16(5)20-18(23)12-26(24,25)9-7-8-17(22)21-19-14(3)10-13(2)11-15(19)4/h10-11,16H,6-9,12H2,1-5H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyPNLWTFSXSIXGEM-INIZCTEOSA-N
MW382.53 g/mol
LogP2.66
Rot. Bonds9

About 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide

4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 94088031) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID94088031
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCC[C@H](C)NC(=O)CS(=O)(=O)CCCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H30N2O4S/c1-6-16(5)20-18(23)12-26(24,25)9-7-8-17(22)21-19-14(3)10-13(2)11-15(19)4/h10-11,16H,6-9,12H2,1-5H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyPNLWTFSXSIXGEM-INIZCTEOSA-N
XLogP2.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide with MolForge

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Related Compounds

4-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylbutanoic acid
CID 82182568
2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 82179960
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
4-(2-methylsulfonylethylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 47068848
N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide
CID 55913084
N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143125
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338595
2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635329
N-butan-2-yl-4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54834460
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-butan-2-yl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54833805

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide (CID 94088031) is 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide is CC[C@H](C)NC(=O)CS(=O)(=O)CCCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is PNLWTFSXSIXGEM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-6-16(5)20-18(23)12-26(24,25)9-7-8-17(22)21-19-14(3)10-13(2)11-15(19)4/h10-11,16H,6-9,12H2,1-5H3,(H,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide?
4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 382.53 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 94088031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).