2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C24H29N3O6S — CID 30872900

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H29N3O6S/c1-32-21-8-7-18(15-22(21)34(30,31)27-11-13-33-14-12-27)16-23(28)25-20-6-4-5-19(17-20)24(29)26-9-2-3-10-26/h4-8,15,17H,2-3,9-14,16H2,1H3,(H,25,28)
InChIKeyNRRUGDLKUJMKJB-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.13
Rot. Bonds7

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 30872900) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID30872900
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H29N3O6S/c1-32-21-8-7-18(15-22(21)34(30,31)27-11-13-33-14-12-27)16-23(28)25-20-6-4-5-19(17-20)24(29)26-9-2-3-10-26/h4-8,15,17H,2-3,9-14,16H2,1H3,(H,25,28)
InChIKeyNRRUGDLKUJMKJB-UHFFFAOYSA-N
XLogP2.13
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55748941
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 26291153
2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417504
[2-(3-ethylanilino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42971588
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30860230
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
3-(methoxymethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 9322729
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 30872900) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is COc1ccc(CC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is NRRUGDLKUJMKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-32-21-8-7-18(15-22(21)34(30,31)27-11-13-33-14-12-27)16-23(28)25-20-6-4-5-19(17-20)24(29)26-9-2-3-10-26/h4-8,15,17H,2-3,9-14,16H2,1H3,(H,25,28).
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 487.58 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 30872900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).