2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide

C12H24N2O4S — CID 23252359

IUPAC2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(CCS(C)(=O)=O)NC(=O)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-8(2)11(15)14-10(6-7-19(5,17)18)12(16)13-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyFZWINCGPKUBPAQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.09
Rot. Bonds7

About 2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide

2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide (PubChem CID 23252359) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide
PubChem CID23252359
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(CCS(C)(=O)=O)NC(=O)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-8(2)11(15)14-10(6-7-19(5,17)18)12(16)13-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyFZWINCGPKUBPAQ-UHFFFAOYSA-N
XLogP0.09
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-2-(2-sulfanylpropanoylamino)butanoic acid
CID 13048615
2-[(6-amino-2-methylheptanoyl)amino]-4-methylsulfonylbutanoic acid
CID 65292154
2-[(2-amino-4-methylsulfonylbutanoyl)amino]pentanoic acid
CID 61161610
N-(1-bromo-5-methylsulfonyl-2-oxopentan-3-yl)acetamide
CID 104700629
2-methyl-N-propan-2-ylpentanamide
CID 4628268
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-4-methylpentanoic acid
CID 61158997
2-(carbamoylamino)-4-methylsulfonylbutanoic acid
CID 18073072
2-[[4-carboxy-2-(2-methylpropanoylamino)butanoyl]amino]pentanedioic acid
CID 140657577
2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide
CID 58871564
(2R)-2-[[2-[(4-chlorobenzoyl)amino]-4-methylsulfonylbutanoyl]amino]propanoic acid
CID 119244235
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-4-methylsulfonyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 120505989

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide (CID 23252359) is 2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(CCS(C)(=O)=O)NC(=O)C(C)C.
What is the InChIKey of 2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide?
The InChIKey is FZWINCGPKUBPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-8(2)11(15)14-10(6-7-19(5,17)18)12(16)13-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide?
2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide has a molecular weight of 292.40 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)-4-methylsulfonyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 23252359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).