3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide

C18H30N2O4S — CID 113144970

IUPAC3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(c1cc(C)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C18H30N2O4S/c1-6-11-19(12-7-2)18(21)10-13-20(25(5,22)23)16-14-15(3)8-9-17(16)24-4/h8-9,14H,6-7,10-13H2,1-5H3
InChIKeyANGVUQKCNDJNOO-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.81
Rot. Bonds10

About 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide

3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide (PubChem CID 113144970) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
PubChem CID113144970
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Name3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(c1cc(C)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C18H30N2O4S/c1-6-11-19(12-7-2)18(21)10-13-20(25(5,22)23)16-14-15(3)8-9-17(16)24-4/h8-9,14H,6-7,10-13H2,1-5H3
InChIKeyANGVUQKCNDJNOO-UHFFFAOYSA-N
XLogP2.81
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141932
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144928
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144974
N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991
N-ethyl-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 113155307
N-(2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144969
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416390
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 2273005
1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113070684
N-ethyl-3-(2-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144524
(2S)-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100559583

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide (CID 113144970) is 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN(c1cc(C)ccc1OC)S(C)(=O)=O.
What is the InChIKey of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide?
The InChIKey is ANGVUQKCNDJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-6-11-19(12-7-2)18(21)10-13-20(25(5,22)23)16-14-15(3)8-9-17(16)24-4/h8-9,14H,6-7,10-13H2,1-5H3.
What are the key properties of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide?
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide has a molecular weight of 370.52 g/mol, XLogP of 2.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide is sourced from PubChem (CID 113144970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).