N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide

C23H23ClN2O4S — CID 55968741

IUPACN-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-30-15-14-25-31(28,29)21-12-10-18(11-13-21)23(27)26-22(17-6-3-2-4-7-17)19-8-5-9-20(24)16-19/h2-13,16,22,25H,14-15H2,1H3,(H,26,27)
InChIKeyLFQAHVMCJWUISX-UHFFFAOYSA-N
MW458.97 g/mol
LogP3.78
Rot. Bonds9

About N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide

N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 55968741) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID55968741
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-30-15-14-25-31(28,29)21-12-10-18(11-13-21)23(27)26-22(17-6-3-2-4-7-17)19-8-5-9-20(24)16-19/h2-13,16,22,25H,14-15H2,1H3,(H,26,27)
InChIKeyLFQAHVMCJWUISX-UHFFFAOYSA-N
XLogP3.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045491
(2R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 97324356
4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 74756714
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 43005612
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 25480917
3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 134045498
4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42937302
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119527433
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55502416
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 35437620
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55583237

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide (CID 55968741) is N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is LFQAHVMCJWUISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-30-15-14-25-31(28,29)21-12-10-18(11-13-21)23(27)26-22(17-6-3-2-4-7-17)19-8-5-9-20(24)16-19/h2-13,16,22,25H,14-15H2,1H3,(H,26,27).
What are the key properties of N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 458.97 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 55968741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).