N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide

C12H26N2O3S — CID 89118522

IUPACN-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C(C)(C)CC)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-7-10(3)13-11(15)9-14(18(6,16)17)12(4,5)8-2/h10H,7-9H2,1-6H3,(H,13,15)
InChIKeyITRHIZRCGGROBO-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.35
Rot. Bonds7

About N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide

N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide (PubChem CID 89118522) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide
PubChem CID89118522
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C(C)(C)CC)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-7-10(3)13-11(15)9-14(18(6,16)17)12(4,5)8-2/h10H,7-9H2,1-6H3,(H,13,15)
InChIKeyITRHIZRCGGROBO-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide (CID 89118522) is N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide is CCC(C)NC(=O)CN(C(C)(C)CC)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide?
The InChIKey is ITRHIZRCGGROBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-7-10(3)13-11(15)9-14(18(6,16)17)12(4,5)8-2/h10H,7-9H2,1-6H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide?
N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide has a molecular weight of 278.42 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-methylbutan-2-yl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 89118522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).