4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide

C15H23NO4S — CID 110416415

IUPAC4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C15H23NO4S/c1-5-9-16(10-6-2)15(17)12-7-8-13(20-3)14(11-12)21(4,18)19/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyBEJPCZGRKAIXAP-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.36
Rot. Bonds7

About 4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide

4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide (PubChem CID 110416415) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide
PubChem CID110416415
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C15H23NO4S/c1-5-9-16(10-6-2)15(17)12-7-8-13(20-3)14(11-12)21(4,18)19/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyBEJPCZGRKAIXAP-UHFFFAOYSA-N
XLogP2.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
4-methoxy-3-methylsulfonylbenzoyl iodide
CID 137414165
N-(2-bromoethyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 80660405
2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone
CID 66871472
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
N,N-diethyl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373689
N-ethyl-4-methoxy-N-(2-methoxyethyl)-3-sulfamoylbenzamide
CID 65386486
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
N-butyl-3-(tert-butylsulfamoyl)-N-ethyl-4-methoxybenzamide
CID 51166061
3-(dipropylcarbamoyl)-4-methoxybenzoic acid
CID 129054402
3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide
CID 170563641

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide?
The IUPAC name of 4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide (CID 110416415) is 4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide.
What is the SMILES notation for 4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide?
The canonical SMILES for 4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(OC)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide?
The InChIKey is BEJPCZGRKAIXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-9-16(10-6-2)15(17)12-7-8-13(20-3)14(11-12)21(4,18)19/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide?
4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide has a molecular weight of 313.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide is sourced from PubChem (CID 110416415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).