2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide

C18H28N2O5S — CID 26861417

IUPAC2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCOC(C)C
InChIInChI=1S/C18H28N2O5S/c1-14(2)25-10-4-7-19-18(21)17-13-16(6-5-15(17)3)26(22,23)20-8-11-24-12-9-20/h5-6,13-14H,4,7-12H2,1-3H3,(H,19,21)
InChIKeyFYOWRZBMNDCKKZ-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.56
Rot. Bonds8

About 2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide

2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 26861417) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID26861417
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCOC(C)C
InChIInChI=1S/C18H28N2O5S/c1-14(2)25-10-4-7-19-18(21)17-13-16(6-5-15(17)3)26(22,23)20-8-11-24-12-9-20/h5-6,13-14H,4,7-12H2,1-3H3,(H,19,21)
InChIKeyFYOWRZBMNDCKKZ-UHFFFAOYSA-N
XLogP1.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(2-methylpropoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 8928626
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 9050303
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55573535
N-(3-imidazol-1-ylpropyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3505589
5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methylbenzamide
CID 28590378
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 30269663
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557
2-methyl-5-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2994738
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
2-chloro-5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798204
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide (CID 26861417) is 2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCOC(C)C.
What is the InChIKey of 2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is FYOWRZBMNDCKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-14(2)25-10-4-7-19-18(21)17-13-16(6-5-15(17)3)26(22,23)20-8-11-24-12-9-20/h5-6,13-14H,4,7-12H2,1-3H3,(H,19,21).
What are the key properties of 2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide?
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 384.50 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 26861417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).