2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide

C16H24N2O6S — CID 2946677

IUPAC2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCC2CCCO2)cc1OC
InChIInChI=1S/C16H24N2O6S/c1-18(11-16(19)17-10-12-5-4-8-24-12)25(20,21)13-6-7-14(22-2)15(9-13)23-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)
InChIKeyRZMHQSHVQUAZLZ-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.62
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2946677) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2946677
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCC2CCCO2)cc1OC
InChIInChI=1S/C16H24N2O6S/c1-18(11-16(19)17-10-12-5-4-8-24-12)25(20,21)13-6-7-14(22-2)15(9-13)23-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)
InChIKeyRZMHQSHVQUAZLZ-UHFFFAOYSA-N
XLogP0.62
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-Dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 969641
N~1~-cyclopropyl-N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 969683
2-[4-(3,4-Dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
CID 3457818
3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6470989
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2948005
Acetamide, 2-[(3,4-dimethoxybenzenesulfonyl)(methyl)amino]-N-phenethyl-
CID 3511426
N-(2-Azepan-1-yl-2-oxo-ethyl)-3,4-dimethoxy-N-methyl-benzenesulfonamide
CID 1085404
(S)-2-{[(S)-1-(3,4-Dimethoxy-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-hexanoic acid
CID 44324856
2-[(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-methyl-amino]-N-(2-methoxy-ethyl)-acetamide
CID 649997
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316831
1-[(4-methoxyphenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2925242

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 2946677) is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NCC2CCCO2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RZMHQSHVQUAZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-18(11-16(19)17-10-12-5-4-8-24-12)25(20,21)13-6-7-14(22-2)15(9-13)23-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 372.44 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2946677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).