4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide

C17H25ClN2O5S — CID 18273667

IUPAC4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H25ClN2O5S/c1-11(10-24-4)19-17(21)14-5-6-15(18)16(7-14)26(22,23)20-8-12(2)25-13(3)9-20/h5-7,11-13H,8-10H2,1-4H3,(H,19,21)
InChIKeyYCDVPYFOPQMNLU-UHFFFAOYSA-N
MW404.92 g/mol
LogP1.90
Rot. Bonds6

About 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide

4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 18273667) has the molecular formula C17H25ClN2O5S and a molecular weight of 404.92 g/mol. Its IUPAC name is 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide
PubChem CID18273667
Molecular FormulaC17H25ClN2O5S
Molecular Weight404.92 g/mol
Exact Mass404.12
IUPAC Name4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H25ClN2O5S/c1-11(10-24-4)19-17(21)14-5-6-15(18)16(7-14)26(22,23)20-8-12(2)25-13(3)9-20/h5-7,11-13H,8-10H2,1-4H3,(H,19,21)
InChIKeyYCDVPYFOPQMNLU-UHFFFAOYSA-N
XLogP1.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18166551
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46440663
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42977391
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46593011
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 16551113
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495
4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412224
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412227
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55879882
methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 55811789
4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 2664064

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide (CID 18273667) is 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is YCDVPYFOPQMNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O5S/c1-11(10-24-4)19-17(21)14-5-6-15(18)16(7-14)26(22,23)20-8-12(2)25-13(3)9-20/h5-7,11-13H,8-10H2,1-4H3,(H,19,21).
What are the key properties of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide?
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 404.92 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 18273667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).