5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide

C17H24N4O3S — CID 6457658

IUPAC5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1C(=O)NC(C)C
InChIInChI=1S/C17H24N4O3S/c1-13(2)20-17(22)16-11-15(6-5-14(16)3)25(23,24)19-7-4-9-21-10-8-18-12-21/h5-6,8,10-13,19H,4,7,9H2,1-3H3,(H,20,22)
InChIKeyMKSFFMSGBPRIDG-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.70
Rot. Bonds8

About 5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide

5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide (PubChem CID 6457658) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
PubChem CID6457658
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1C(=O)NC(C)C
InChIInChI=1S/C17H24N4O3S/c1-13(2)20-17(22)16-11-15(6-5-14(16)3)25(23,24)19-7-4-9-21-10-8-18-12-21/h5-6,8,10-13,19H,4,7,9H2,1-3H3,(H,20,22)
InChIKeyMKSFFMSGBPRIDG-UHFFFAOYSA-N
XLogP1.70
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide (CID 6457658) is 5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide is Cc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1C(=O)NC(C)C.
What is the InChIKey of 5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is MKSFFMSGBPRIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13(2)20-17(22)16-11-15(6-5-14(16)3)25(23,24)19-7-4-9-21-10-8-18-12-21/h5-6,8,10-13,19H,4,7,9H2,1-3H3,(H,20,22).
What are the key properties of 5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide?
5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 364.47 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylpropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 6457658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).