N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide

C27H28N4O3S — CID 10228115

IUPACN-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(CCCn2ccnc2)Cc2ccccc2)cc1
InChIInChI=1S/C27H28N4O3S/c1-22-12-14-24(15-13-22)35(33,34)29-26-11-6-5-10-25(26)27(32)31(20-23-8-3-2-4-9-23)18-7-17-30-19-16-28-21-30/h2-6,8-16,19,21,29H,7,17-18,20H2,1H3
InChIKeyGVBXORCPIGIDLC-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.73
Rot. Bonds10

About N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide

N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 10228115) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID10228115
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(CCCn2ccnc2)Cc2ccccc2)cc1
InChIInChI=1S/C27H28N4O3S/c1-22-12-14-24(15-13-22)35(33,34)29-26-11-6-5-10-25(26)27(32)31(20-23-8-3-2-4-9-23)18-7-17-30-19-16-28-21-30/h2-6,8-16,19,21,29H,7,17-18,20H2,1H3
InChIKeyGVBXORCPIGIDLC-UHFFFAOYSA-N
XLogP4.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 10228115) is N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(CCCn2ccnc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is GVBXORCPIGIDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-22-12-14-24(15-13-22)35(33,34)29-26-11-6-5-10-25(26)27(32)31(20-23-8-3-2-4-9-23)18-7-17-30-19-16-28-21-30/h2-6,8-16,19,21,29H,7,17-18,20H2,1H3.
What are the key properties of N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 488.61 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 10228115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).