N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

C25H33N3O5S — CID 31404566

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)N2CCOCC2)cc1
InChIInChI=1S/C25H33N3O5S/c1-19-5-10-22(34(30,31)28-11-3-4-12-28)17-23(19)25(29)26-18-24(27-13-15-33-16-14-27)20-6-8-21(32-2)9-7-20/h5-10,17,24H,3-4,11-16,18H2,1-2H3,(H,26,29)/t24-/m1/s1
InChIKeyIVDVQWPWECSLDZ-XMMPIXPASA-N
MW487.62 g/mol
LogP2.59
Rot. Bonds8

About N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 31404566) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID31404566
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)N2CCOCC2)cc1
InChIInChI=1S/C25H33N3O5S/c1-19-5-10-22(34(30,31)28-11-3-4-12-28)17-23(19)25(29)26-18-24(27-13-15-33-16-14-27)20-6-8-21(32-2)9-7-20/h5-10,17,24H,3-4,11-16,18H2,1-2H3,(H,26,29)/t24-/m1/s1
InChIKeyIVDVQWPWECSLDZ-XMMPIXPASA-N
XLogP2.59
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43006589
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 41155776
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-sulfamoylbenzamide
CID 27772015
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41218773
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41218768
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 92678124
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281847
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
2-hydroxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 51186231

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 31404566) is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is IVDVQWPWECSLDZ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-19-5-10-22(34(30,31)28-11-3-4-12-28)17-23(19)25(29)26-18-24(27-13-15-33-16-14-27)20-6-8-21(32-2)9-7-20/h5-10,17,24H,3-4,11-16,18H2,1-2H3,(H,26,29)/t24-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 487.62 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 31404566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).