2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide

C23H32ClN3O4S — CID 39466987

IUPAC2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
SMILESCC(C)N(CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl)C(C)C
InChIInChI=1S/C23H32ClN3O4S/c1-17(2)27(18(3)4)14-12-25-23(28)21-16-20(10-11-22(21)24)32(29,30)26-13-15-31-19-8-6-5-7-9-19/h5-11,16-18,26H,12-15H2,1-4H3,(H,25,28)
InChIKeyLWIIIRIRZMYSCD-UHFFFAOYSA-N
MW482.05 g/mol
LogP3.55
Rot. Bonds12

About 2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide

2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide (PubChem CID 39466987) has the molecular formula C23H32ClN3O4S and a molecular weight of 482.05 g/mol. Its IUPAC name is 2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
PubChem CID39466987
Molecular FormulaC23H32ClN3O4S
Molecular Weight482.05 g/mol
Exact Mass481.18
IUPAC Name2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
SMILESCC(C)N(CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl)C(C)C
InChIInChI=1S/C23H32ClN3O4S/c1-17(2)27(18(3)4)14-12-25-23(28)21-16-20(10-11-22(21)24)32(29,30)26-13-15-31-19-8-6-5-7-9-19/h5-11,16-18,26H,12-15H2,1-4H3,(H,25,28)
InChIKeyLWIIIRIRZMYSCD-UHFFFAOYSA-N
XLogP3.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.05
LogP ≤ 53.55
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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Related Compounds

2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 24625182
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 24633320
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 24595727
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41144884
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 60549183
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-5-(2-phenoxyethylsulfamoyl)benzamide
CID 31411571
N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide
CID 39467394
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide (CID 39466987) is 2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide is CC(C)N(CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl)C(C)C.
What is the InChIKey of 2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide?
The InChIKey is LWIIIRIRZMYSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O4S/c1-17(2)27(18(3)4)14-12-25-23(28)21-16-20(10-11-22(21)24)32(29,30)26-13-15-31-19-8-6-5-7-9-19/h5-11,16-18,26H,12-15H2,1-4H3,(H,25,28).
What are the key properties of 2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide?
2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide has a molecular weight of 482.05 g/mol, XLogP of 3.55, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 39466987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).