2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

C22H25N5O5S2 — CID 4969524

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(-c2ccccc2)cn1N
InChIInChI=1S/C22H25N5O5S2/c1-31-20-8-7-17(34(29,30)26-9-11-32-12-10-26)13-18(20)24-21(28)15-33-22-25-19(14-27(22)23)16-5-3-2-4-6-16/h2-8,13-14H,9-12,15,23H2,1H3,(H,24,28)
InChIKeyYFXDSWXPCHYURW-UHFFFAOYSA-N
MW503.61 g/mol
LogP2.02
Rot. Bonds8

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4969524) has the molecular formula C22H25N5O5S2 and a molecular weight of 503.61 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4969524
Molecular FormulaC22H25N5O5S2
Molecular Weight503.61 g/mol
Exact Mass503.13
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(-c2ccccc2)cn1N
InChIInChI=1S/C22H25N5O5S2/c1-31-20-8-7-17(34(29,30)26-9-11-32-12-10-26)13-18(20)24-21(28)15-33-22-25-19(14-27(22)23)16-5-3-2-4-6-16/h2-8,13-14H,9-12,15,23H2,1H3,(H,24,28)
InChIKeyYFXDSWXPCHYURW-UHFFFAOYSA-N
XLogP2.02
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide with MolForge

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 35942255
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 24649288
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4964722
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 7733249
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 4969524) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(-c2ccccc2)cn1N.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is YFXDSWXPCHYURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S2/c1-31-20-8-7-17(34(29,30)26-9-11-32-12-10-26)13-18(20)24-21(28)15-33-22-25-19(14-27(22)23)16-5-3-2-4-6-16/h2-8,13-14H,9-12,15,23H2,1H3,(H,24,28).
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 503.61 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4969524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).