N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide

C20H27N3O3S — CID 112506427

IUPACN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C20H27N3O3S/c24-27(25,15-5-8-18-6-2-1-3-7-18)22-17-20(19-9-4-10-21-16-19)23-11-13-26-14-12-23/h1-4,6-7,9-10,16,20,22H,5,8,11-15,17H2
InChIKeyANXQSDNTRXZBQZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.01
Rot. Bonds9

About N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide (PubChem CID 112506427) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
PubChem CID112506427
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C20H27N3O3S/c24-27(25,15-5-8-18-6-2-1-3-7-18)22-17-20(19-9-4-10-21-16-19)23-11-13-26-14-12-23/h1-4,6-7,9-10,16,20,22H,5,8,11-15,17H2
InChIKeyANXQSDNTRXZBQZ-UHFFFAOYSA-N
XLogP2.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 28983026
1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506422
1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506424
N-(ethylsulfamoyl)-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 110623720
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
CID 110304070
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide;hydrochloride
CID 52985988
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea
CID 92661893
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
CID 42272396

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide (CID 112506427) is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCC(c1cccnc1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide?
The InChIKey is ANXQSDNTRXZBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c24-27(25,15-5-8-18-6-2-1-3-7-18)22-17-20(19-9-4-10-21-16-19)23-11-13-26-14-12-23/h1-4,6-7,9-10,16,20,22H,5,8,11-15,17H2.
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide?
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide has a molecular weight of 389.52 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 112506427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).