2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide

C12H18N2O4S — CID 81187922

IUPAC2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)CCCN)cc1
InChIInChI=1S/C12H18N2O4S/c1-18-11-5-3-10(4-6-11)14-12(15)9-19(16,17)8-2-7-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeyNIKHNCOFEXJZKC-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.40
Rot. Bonds7

About 2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide

2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide (PubChem CID 81187922) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
PubChem CID81187922
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)CCCN)cc1
InChIInChI=1S/C12H18N2O4S/c1-18-11-5-3-10(4-6-11)14-12(15)9-19(16,17)8-2-7-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeyNIKHNCOFEXJZKC-UHFFFAOYSA-N
XLogP0.40
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
CID 82180278
2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
CID 82179944
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 82180185
N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 7731124
2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
CID 82180091
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39083637
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
CID 55151509
N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
CID 58145182

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide (CID 81187922) is 2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CS(=O)(=O)CCCN)cc1.
What is the InChIKey of 2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is NIKHNCOFEXJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-11-5-3-10(4-6-11)14-12(15)9-19(16,17)8-2-7-13/h3-6H,2,7-9,13H2,1H3,(H,14,15).
What are the key properties of 2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide?
2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 286.35 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 81187922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).