2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide

C25H27N3O4S — CID 2205012

IUPAC2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-17-26-24(29)20-9-5-7-11-22(20)27-25(30)21-10-6-8-12-23(21)28(3)33(31,32)19-15-13-18(2)14-16-19/h5-16H,4,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyUVZQNEGMGHNYBZ-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.21
Rot. Bonds8

About 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide

2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide (PubChem CID 2205012) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide
PubChem CID2205012
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-17-26-24(29)20-9-5-7-11-22(20)27-25(30)21-10-6-8-12-23(21)28(3)33(31,32)19-15-13-18(2)14-16-19/h5-16H,4,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyUVZQNEGMGHNYBZ-UHFFFAOYSA-N
XLogP4.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 137796294
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CID 142474792
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CID 2805665
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CID 24801689
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CID 24895452
CID 24895452
CID 126508254
CID 126508254
CID 2812928
CID 2812928
CID 558837
CID 558837
CID 1041096
CID 1041096
CID 1277922
CID 1277922
CID 1228113
CID 1228113
CID 2224401
CID 2224401

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide (CID 2205012) is 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide?
The InChIKey is UVZQNEGMGHNYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-17-26-24(29)20-9-5-7-11-22(20)27-25(30)21-10-6-8-12-23(21)28(3)33(31,32)19-15-13-18(2)14-16-19/h5-16H,4,17H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide?
2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide has a molecular weight of 465.58 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 2205012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).