2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C18H25N5O4S — CID 17066696

IUPAC2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CNCCCn1ccnc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N5O4S/c24-18(14-19-6-1-8-22-9-7-20-15-22)21-16-2-4-17(5-3-16)28(25,26)23-10-12-27-13-11-23/h2-5,7,9,15,19H,1,6,8,10-14H2,(H,21,24)
InChIKeyNVGMOVLGTOHJPA-UHFFFAOYSA-N
MW407.50 g/mol
LogP0.52
Rot. Bonds9

About 2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 17066696) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID17066696
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Name2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CNCCCn1ccnc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N5O4S/c24-18(14-19-6-1-8-22-9-7-20-15-22)21-16-2-4-17(5-3-16)28(25,26)23-10-12-27-13-11-23/h2-5,7,9,15,19H,1,6,8,10-14H2,(H,21,24)
InChIKeyNVGMOVLGTOHJPA-UHFFFAOYSA-N
XLogP0.52
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-imidazol-1-ylpropylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17066686
N-(3-imidazol-1-ylpropyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3505589
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile
CID 16646329
N-(4-morpholin-4-ylsulfonylphenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066698
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 17066696) is 2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CNCCCn1ccnc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is NVGMOVLGTOHJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S/c24-18(14-19-6-1-8-22-9-7-20-15-22)21-16-2-4-17(5-3-16)28(25,26)23-10-12-27-13-11-23/h2-5,7,9,15,19H,1,6,8,10-14H2,(H,21,24).
What are the key properties of 2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 407.50 g/mol, XLogP of 0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 17066696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).