3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide

C19H29N3O4S — CID 119537712

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCC1CCNC1
InChIInChI=1S/C19H29N3O4S/c23-19(21-10-8-17-7-9-20-15-17)6-3-16-1-4-18(5-2-16)27(24,25)22-11-13-26-14-12-22/h1-2,4-5,17,20H,3,6-15H2,(H,21,23)
InChIKeyHCSLYYBUPMASOL-UHFFFAOYSA-N
MW395.53 g/mol
LogP0.76
Rot. Bonds8

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide (PubChem CID 119537712) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
PubChem CID119537712
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCC1CCNC1
InChIInChI=1S/C19H29N3O4S/c23-19(21-10-8-17-7-9-20-15-17)6-3-16-1-4-18(5-2-16)27(24,25)22-11-13-26-14-12-22/h1-2,4-5,17,20H,3,6-15H2,(H,21,23)
InChIKeyHCSLYYBUPMASOL-UHFFFAOYSA-N
XLogP0.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534778
N-(2-piperidin-3-ylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119555682
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534976
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55723412
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55656769
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide (CID 119537712) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCC1CCNC1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide?
The InChIKey is HCSLYYBUPMASOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c23-19(21-10-8-17-7-9-20-15-17)6-3-16-1-4-18(5-2-16)27(24,25)22-11-13-26-14-12-22/h1-2,4-5,17,20H,3,6-15H2,(H,21,23).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide has a molecular weight of 395.53 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide is sourced from PubChem (CID 119537712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).