N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide

C19H28N2O4S — CID 134054858

IUPACN-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N(C(C)C)C3CC3)c2)CC(C)O1
InChIInChI=1S/C19H28N2O4S/c1-13(2)21(17-8-9-17)19(22)16-6-5-7-18(10-16)26(23,24)20-11-14(3)25-15(4)12-20/h5-7,10,13-15,17H,8-9,11-12H2,1-4H3
InChIKeyGAWNCVXZIBAUSK-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.50
Rot. Bonds5

About N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide

N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide (PubChem CID 134054858) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
PubChem CID134054858
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N(C(C)C)C3CC3)c2)CC(C)O1
InChIInChI=1S/C19H28N2O4S/c1-13(2)21(17-8-9-17)19(22)16-6-5-7-18(10-16)26(23,24)20-11-14(3)25-15(4)12-20/h5-7,10,13-15,17H,8-9,11-12H2,1-4H3
InChIKeyGAWNCVXZIBAUSK-UHFFFAOYSA-N
XLogP2.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide
CID 60596722
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
CID 104959833
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 46588591
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16525930
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 98399060
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 99848693
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
propyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 46544170
(4-methylphenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764714

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide (CID 134054858) is N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)N(C(C)C)C3CC3)c2)CC(C)O1.
What is the InChIKey of N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
The InChIKey is GAWNCVXZIBAUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-13(2)21(17-8-9-17)19(22)16-6-5-7-18(10-16)26(23,24)20-11-14(3)25-15(4)12-20/h5-7,10,13-15,17H,8-9,11-12H2,1-4H3.
What are the key properties of N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide has a molecular weight of 380.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 134054858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).