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

C24H30ClN3O5S — CID 42906861

IUPAC2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCCC1
InChIInChI=1S/C24H30ClN3O5S/c1-32-23-7-3-2-6-19(23)22(27-10-4-5-11-27)17-26-24(29)20-16-18(8-9-21(20)25)34(30,31)28-12-14-33-15-13-28/h2-3,6-9,16,22H,4-5,10-15,17H2,1H3,(H,26,29)
InChIKeyJKDSZDNGMAXPQU-UHFFFAOYSA-N
MW508.04 g/mol
LogP2.94
Rot. Bonds8

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

2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 42906861) has the molecular formula C24H30ClN3O5S and a molecular weight of 508.04 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID42906861
Molecular FormulaC24H30ClN3O5S
Molecular Weight508.04 g/mol
Exact Mass507.16
IUPAC Name2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCCC1
InChIInChI=1S/C24H30ClN3O5S/c1-32-23-7-3-2-6-19(23)22(27-10-4-5-11-27)17-26-24(29)20-16-18(8-9-21(20)25)34(30,31)28-12-14-33-15-13-28/h2-3,6-9,16,22H,4-5,10-15,17H2,1H3,(H,26,29)
InChIKeyJKDSZDNGMAXPQU-UHFFFAOYSA-N
XLogP2.94
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.04
LogP ≤ 52.94
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
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]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43006287
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55337584
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 55336369
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 31404566
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide (CID 42906861) is 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide is COc1ccccc1C(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCCC1.
What is the InChIKey of 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JKDSZDNGMAXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O5S/c1-32-23-7-3-2-6-19(23)22(27-10-4-5-11-27)17-26-24(29)20-16-18(8-9-21(20)25)34(30,31)28-12-14-33-15-13-28/h2-3,6-9,16,22H,4-5,10-15,17H2,1H3,(H,26,29).
What are the key properties of 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 508.04 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 42906861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).