N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide

C24H31N3O4S — CID 55574957

IUPACN-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H31N3O4S/c28-24(21-11-5-6-12-23(21)32(29,30)27-13-7-2-8-14-27)25-19-22(20-9-3-1-4-10-20)26-15-17-31-18-16-26/h1,3-6,9-12,22H,2,7-8,13-19H2,(H,25,28)
InChIKeyZTFUUZBVKFTZCP-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.66
Rot. Bonds7

About N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide

N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55574957) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55574957
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H31N3O4S/c28-24(21-11-5-6-12-23(21)32(29,30)27-13-7-2-8-14-27)25-19-22(20-9-3-1-4-10-20)26-15-17-31-18-16-26/h1,3-6,9-12,22H,2,7-8,13-19H2,(H,25,28)
InChIKeyZTFUUZBVKFTZCP-UHFFFAOYSA-N
XLogP2.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55330211
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622785
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
2-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 39944232
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 31404566
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 16763255
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
CID 91197833
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55610163
2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828071

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide (CID 55574957) is N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZTFUUZBVKFTZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c28-24(21-11-5-6-12-23(21)32(29,30)27-13-7-2-8-14-27)25-19-22(20-9-3-1-4-10-20)26-15-17-31-18-16-26/h1,3-6,9-12,22H,2,7-8,13-19H2,(H,25,28).
What are the key properties of N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide?
N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 457.60 g/mol, XLogP of 2.66, 7 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-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55574957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).