N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide

C18H27N3O6S — CID 55488005

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O6S/c1-20(14-17(22)19-8-3-11-26-2)18(23)15-4-6-16(7-5-15)28(24,25)21-9-12-27-13-10-21/h4-7H,3,8-14H2,1-2H3,(H,19,22)
InChIKeyCALRBEQRLYQWAZ-UHFFFAOYSA-N
MW413.50 g/mol
LogP-0.07
Rot. Bonds9

About N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 55488005) has the molecular formula C18H27N3O6S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
PubChem CID55488005
Molecular FormulaC18H27N3O6S
Molecular Weight413.50 g/mol
Exact Mass413.16
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O6S/c1-20(14-17(22)19-8-3-11-26-2)18(23)15-4-6-16(7-5-15)28(24,25)21-9-12-27-13-10-21/h4-7H,3,8-14H2,1-2H3,(H,19,22)
InChIKeyCALRBEQRLYQWAZ-UHFFFAOYSA-N
XLogP-0.07
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8855114
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 30269663
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8502036
2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119690162
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 30271532
methyl 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanoate
CID 118538510
N-(3-methoxypropyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126490
N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30277449

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide (CID 55488005) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide is COCCCNC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CALRBEQRLYQWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6S/c1-20(14-17(22)19-8-3-11-26-2)18(23)15-4-6-16(7-5-15)28(24,25)21-9-12-27-13-10-21/h4-7H,3,8-14H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 413.50 g/mol, XLogP of -0.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55488005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).