N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide

C15H23NO5S — CID 110415267

IUPACN-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C15H23NO5S/c1-15(2,3)16-14(17)8-9-22(18,19)11-6-7-12(20-4)13(10-11)21-5/h6-7,10H,8-9H2,1-5H3,(H,16,17)
InChIKeyDXKRRXFYPCKINQ-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.78
Rot. Bonds6

About N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide

N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide (PubChem CID 110415267) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
PubChem CID110415267
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC NameN-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C15H23NO5S/c1-15(2,3)16-14(17)8-9-22(18,19)11-6-7-12(20-4)13(10-11)21-5/h6-7,10H,8-9H2,1-5H3,(H,16,17)
InChIKeyDXKRRXFYPCKINQ-UHFFFAOYSA-N
XLogP1.78
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119570335
(2R)-2-[3-(3,4-dimethoxyphenyl)sulfonylpropanoylamino]-4-methylpentanoic acid
CID 119364738
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
CID 110417830
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
CID 110414798
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416390
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110633484
3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 97013281
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide (CID 110415267) is N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C)cc1OC.
What is the InChIKey of N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide?
The InChIKey is DXKRRXFYPCKINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-15(2,3)16-14(17)8-9-22(18,19)11-6-7-12(20-4)13(10-11)21-5/h6-7,10H,8-9H2,1-5H3,(H,16,17).
What are the key properties of N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide?
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide has a molecular weight of 329.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 110415267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).