N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

C19H23BrN2O4S — CID 28557646

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H23BrN2O4S/c1-12(2)22-27(24,25)18-11-15(8-9-17(18)26-4)19(23)21-13(3)14-6-5-7-16(20)10-14/h5-13,22H,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeyYMEGTHXANCIVSV-ZDUSSCGKSA-N
MW455.37 g/mol
LogP3.64
Rot. Bonds7

About N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 28557646) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID28557646
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H23BrN2O4S/c1-12(2)22-27(24,25)18-11-15(8-9-17(18)26-4)19(23)21-13(3)14-6-5-7-16(20)10-14/h5-13,22H,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeyYMEGTHXANCIVSV-ZDUSSCGKSA-N
XLogP3.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 43874000
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
N-[(1S)-1-(3-bromophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 28557745
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 43003256
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645477
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431
4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46655114
methyl (3R)-3-(3-bromophenyl)-3-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 52908538
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (CID 28557646) is N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is YMEGTHXANCIVSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-12(2)22-27(24,25)18-11-15(8-9-17(18)26-4)19(23)21-13(3)14-6-5-7-16(20)10-14/h5-13,22H,1-4H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 455.37 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 28557646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).