N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide

C17H22N4O4S — CID 3669062

IUPACN-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H22N4O4S/c22-17(19-6-1-8-20-9-7-18-14-20)15-2-4-16(5-3-15)26(23,24)21-10-12-25-13-11-21/h2-5,7,9,14H,1,6,8,10-13H2,(H,19,22)
InChIKeySSSHRLWFHAKRGY-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.72
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide

N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 3669062) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID3669062
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H22N4O4S/c22-17(19-6-1-8-20-9-7-18-14-20)15-2-4-16(5-3-15)26(23,24)21-10-12-25-13-11-21/h2-5,7,9,14H,1,6,8,10-13H2,(H,19,22)
InChIKeySSSHRLWFHAKRGY-UHFFFAOYSA-N
XLogP0.72
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide (CID 3669062) is N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide is O=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SSSHRLWFHAKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c22-17(19-6-1-8-20-9-7-18-14-20)15-2-4-16(5-3-15)26(23,24)21-10-12-25-13-11-21/h2-5,7,9,14H,1,6,8,10-13H2,(H,19,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 378.45 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3669062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).