N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C15H24N2O3S — CID 2236744

IUPACN-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCCCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-3-4-11-16-15(18)13-17(21(2,19)20)12-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,16,18)
InChIKeySFTDXRASJPPPJD-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.41
Rot. Bonds9

About N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 2236744) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID2236744
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCCCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-3-4-11-16-15(18)13-17(21(2,19)20)12-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,16,18)
InChIKeySFTDXRASJPPPJD-UHFFFAOYSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 2236744) is N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is CCCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is SFTDXRASJPPPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-4-11-16-15(18)13-17(21(2,19)20)12-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 312.43 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 2236744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).