3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide

C20H25ClN2O4S — CID 43003256

IUPAC3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(Cl)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H25ClN2O4S/c1-13(14-7-6-8-16(21)11-14)22-19(24)15-9-10-17(27-5)18(12-15)28(25,26)23-20(2,3)4/h6-13,23H,1-5H3,(H,22,24)
InChIKeyNSZFZGWZITUSDJ-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.92
Rot. Bonds6

About 3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide

3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide (PubChem CID 43003256) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide
PubChem CID43003256
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(Cl)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H25ClN2O4S/c1-13(14-7-6-8-16(21)11-14)22-19(24)15-9-10-17(27-5)18(12-15)28(25,26)23-20(2,3)4/h6-13,23H,1-5H3,(H,22,24)
InChIKeyNSZFZGWZITUSDJ-UHFFFAOYSA-N
XLogP3.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557646
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
N-[1-(2-chlorophenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51163493
3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55987169
N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 43874000
3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 28557712
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51163512
N-[(1S)-1-(3-bromophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 28557745
3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764009
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)-4-methoxybenzoate
CID 46814646

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide (CID 43003256) is 3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2cccc(Cl)c2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is NSZFZGWZITUSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-13(14-7-6-8-16(21)11-14)22-19(24)15-9-10-17(27-5)18(12-15)28(25,26)23-20(2,3)4/h6-13,23H,1-5H3,(H,22,24).
What are the key properties of 3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 424.95 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 43003256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).