2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide

C15H18N2O3S — CID 115684041

IUPAC2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18N2O3S/c1-11(2)17(10-15(16)18)21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H2,16,18)
InChIKeyIWXCJKURHFEZAQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.72
Rot. Bonds5

About 2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide

2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide (PubChem CID 115684041) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
PubChem CID115684041
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18N2O3S/c1-11(2)17(10-15(16)18)21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H2,16,18)
InChIKeyIWXCJKURHFEZAQ-UHFFFAOYSA-N
XLogP1.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide
CID 114795644
N-propan-2-ylnaphthalene-1-sulfonohydrazide
CID 141255188
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 5097519
(2S)-2-[benzyl(naphthalen-1-ylsulfonyl)amino]-3-methylbutanoic acid
CID 10810829
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide
CID 134821387
2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
CID 43578991
N,N-dimethyl-2-[methyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 115684021
2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 18170875
3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 43402887
N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795824

Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide?
The IUPAC name of 2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide (CID 115684041) is 2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for 2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide?
The canonical SMILES for 2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide is CC(C)N(CC(N)=O)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide?
The InChIKey is IWXCJKURHFEZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(2)17(10-15(16)18)21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide?
2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 115684041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).