5-(2-methylpropylsulfonyl)-2-propoxybenzamide

C14H21NO4S — CID 21420407

IUPAC5-(2-methylpropylsulfonyl)-2-propoxybenzamide
SMILESCCCOc1ccc(S(=O)(=O)CC(C)C)cc1C(N)=O
InChIInChI=1S/C14H21NO4S/c1-4-7-19-13-6-5-11(8-12(13)14(15)16)20(17,18)9-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3,(H2,15,16)
InChIKeyCBYCXBJBENTNBG-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.00
Rot. Bonds7

About 5-(2-methylpropylsulfonyl)-2-propoxybenzamide

5-(2-methylpropylsulfonyl)-2-propoxybenzamide (PubChem CID 21420407) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 5-(2-methylpropylsulfonyl)-2-propoxybenzamide.

Molecular Properties

Compound Name5-(2-methylpropylsulfonyl)-2-propoxybenzamide
PubChem CID21420407
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name5-(2-methylpropylsulfonyl)-2-propoxybenzamide
SMILESCCCOc1ccc(S(=O)(=O)CC(C)C)cc1C(N)=O
InChIInChI=1S/C14H21NO4S/c1-4-7-19-13-6-5-11(8-12(13)14(15)16)20(17,18)9-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3,(H2,15,16)
InChIKeyCBYCXBJBENTNBG-UHFFFAOYSA-N
XLogP2.00
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide
CID 171134247
2-propoxy-5-propylsulfonylbenzenecarboximidamide;hydrochloride
CID 21420403
5-amino-2-butoxybenzamide
CID 61305277
5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide
CID 171134322
methyl 5-methylsulfonyl-2-propoxybenzoate
CID 23503135
2-butoxy-5-methylsulfonylbenzenecarbothioamide
CID 23503178
5-(1-hydroxypropan-2-ylsulfamoyl)-2-propoxybenzoic acid
CID 43499085
5-bromo-2-(3-methylbutoxy)benzamide
CID 67555588
5-amino-2-(3-methylsulfonylpropoxy)benzamide
CID 106956095
2-hexoxy-5-sulfamoylbenzoic acid
CID 43322679
5-(but-3-yn-2-ylsulfamoyl)-2-propoxybenzoic acid
CID 114414864
5-(cyanomethylsulfamoyl)-2-propoxybenzoic acid
CID 61209613

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylsulfonyl)-2-propoxybenzamide?
The IUPAC name of 5-(2-methylpropylsulfonyl)-2-propoxybenzamide (CID 21420407) is 5-(2-methylpropylsulfonyl)-2-propoxybenzamide.
What is the SMILES notation for 5-(2-methylpropylsulfonyl)-2-propoxybenzamide?
The canonical SMILES for 5-(2-methylpropylsulfonyl)-2-propoxybenzamide is CCCOc1ccc(S(=O)(=O)CC(C)C)cc1C(N)=O.
What is the InChIKey of 5-(2-methylpropylsulfonyl)-2-propoxybenzamide?
The InChIKey is CBYCXBJBENTNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-7-19-13-6-5-11(8-12(13)14(15)16)20(17,18)9-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3,(H2,15,16).
What are the key properties of 5-(2-methylpropylsulfonyl)-2-propoxybenzamide?
5-(2-methylpropylsulfonyl)-2-propoxybenzamide has a molecular weight of 299.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfonyl)-2-propoxybenzamide is sourced from PubChem (CID 21420407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).