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

C25H33N3O5S — CID 41218773

IUPACN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)N1CCCC1
InChIInChI=1S/C25H33N3O5S/c1-19-9-10-20(34(30,31)28-13-15-33-16-14-28)17-22(19)25(29)26-18-23(27-11-5-6-12-27)21-7-3-4-8-24(21)32-2/h3-4,7-10,17,23H,5-6,11-16,18H2,1-2H3,(H,26,29)/t23-/m1/s1
InChIKeyFFVGOMFLJFFBRH-HSZRJFAPSA-N
MW487.62 g/mol
LogP2.59
Rot. Bonds8

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

N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 41218773) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID41218773
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)N1CCCC1
InChIInChI=1S/C25H33N3O5S/c1-19-9-10-20(34(30,31)28-13-15-33-16-14-28)17-22(19)25(29)26-18-23(27-11-5-6-12-27)21-7-3-4-8-24(21)32-2/h3-4,7-10,17,23H,5-6,11-16,18H2,1-2H3,(H,26,29)/t23-/m1/s1
InChIKeyFFVGOMFLJFFBRH-HSZRJFAPSA-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-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41218768
2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 42906861
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 31404566
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43006287
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-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55337584
N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43908455
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 41218773) is N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is COc1ccccc1[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FFVGOMFLJFFBRH-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-19-9-10-20(34(30,31)28-13-15-33-16-14-28)17-22(19)25(29)26-18-23(27-11-5-6-12-27)21-7-3-4-8-24(21)32-2/h3-4,7-10,17,23H,5-6,11-16,18H2,1-2H3,(H,26,29)/t23-/m1/s1.
What are the key properties of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-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-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 41218773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).