2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide

C19H31N3O6S — CID 30150418

IUPAC2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C19H31N3O6S/c1-5-29(24,25)21(2)16-14-18(27-4)17(26-3)13-15(16)19(23)20-7-6-8-22-9-11-28-12-10-22/h13-14H,5-12H2,1-4H3,(H,20,23)
InChIKeyDLZRILKSOIWVME-UHFFFAOYSA-N
MW429.54 g/mol
LogP0.94
Rot. Bonds10

About 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide

2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 30150418) has the molecular formula C19H31N3O6S and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID30150418
Molecular FormulaC19H31N3O6S
Molecular Weight429.54 g/mol
Exact Mass429.19
IUPAC Name2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C19H31N3O6S/c1-5-29(24,25)21(2)16-14-18(27-4)17(26-3)13-15(16)19(23)20-7-6-8-22-9-11-28-12-10-22/h13-14H,5-12H2,1-4H3,(H,20,23)
InChIKeyDLZRILKSOIWVME-UHFFFAOYSA-N
XLogP0.94
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149679
2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 30148719
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5161419
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742240
[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
CID 121255435
5-methoxy-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 125431560
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 50945225
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 30150418) is 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide is CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is DLZRILKSOIWVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O6S/c1-5-29(24,25)21(2)16-14-18(27-4)17(26-3)13-15(16)19(23)20-7-6-8-22-9-11-28-12-10-22/h13-14H,5-12H2,1-4H3,(H,20,23).
What are the key properties of 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 429.54 g/mol, XLogP of 0.94, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 30150418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).