2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide

C19H29N3O4S — CID 154817747

IUPAC2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCC1COCCN1CC(=O)N1CCCC1
InChIInChI=1S/C19H29N3O4S/c1-16-6-2-3-7-18(16)27(24,25)20-9-8-17-15-26-13-12-22(17)14-19(23)21-10-4-5-11-21/h2-3,6-7,17,20H,4-5,8-15H2,1H3
InChIKeyOBCMZTWCYSVEJZ-UHFFFAOYSA-N
MW395.53 g/mol
LogP0.99
Rot. Bonds7

About 2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide

2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide (PubChem CID 154817747) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide
PubChem CID154817747
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCC1COCCN1CC(=O)N1CCCC1
InChIInChI=1S/C19H29N3O4S/c1-16-6-2-3-7-18(16)27(24,25)20-9-8-17-15-26-13-12-22(17)14-19(23)21-10-4-5-11-21/h2-3,6-7,17,20H,4-5,8-15H2,1H3
InChIKeyOBCMZTWCYSVEJZ-UHFFFAOYSA-N
XLogP0.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
1-piperidin-1-yl-2-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 124998042
N-[2-(4-benzylmorpholin-3-yl)ethyl]acetamide
CID 10264698
2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide
CID 95190119
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(2-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]cyclopentanecarboxamide
CID 53382752
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(2-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]cyclohexanecarboxamide
CID 54643749
2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide
CID 110369880
2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719352
2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994726

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide (CID 154817747) is 2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCC1COCCN1CC(=O)N1CCCC1.
What is the InChIKey of 2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is OBCMZTWCYSVEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-16-6-2-3-7-18(16)27(24,25)20-9-8-17-15-26-13-12-22(17)14-19(23)21-10-4-5-11-21/h2-3,6-7,17,20H,4-5,8-15H2,1H3.
What are the key properties of 2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide?
2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 395.53 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 154817747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).