N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide

C20H19BrN2O3S2 — CID 53061801

IUPACN-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C20H19BrN2O3S2/c1-3-14-7-9-17(10-8-14)23(2)28(25,26)18-11-12-27-19(18)20(24)22-16-6-4-5-15(21)13-16/h4-13H,3H2,1-2H3,(H,22,24)
InChIKeyQHFVMWDVRKUNTH-UHFFFAOYSA-N
MW479.42 g/mol
LogP5.15
Rot. Bonds6

About N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide

N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 53061801) has the molecular formula C20H19BrN2O3S2 and a molecular weight of 479.42 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
PubChem CID53061801
Molecular FormulaC20H19BrN2O3S2
Molecular Weight479.42 g/mol
Exact Mass478.00
IUPAC NameN-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C20H19BrN2O3S2/c1-3-14-7-9-17(10-8-14)23(2)28(25,26)18-11-12-27-19(18)20(24)22-16-6-4-5-15(21)13-16/h4-13H,3H2,1-2H3,(H,22,24)
InChIKeyQHFVMWDVRKUNTH-UHFFFAOYSA-N
XLogP5.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 50928103
N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061732
N-[3-(diethylcarbamoyl)phenyl]-3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 171727981
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061744
3-[[3-[[4-(2-methoxyethoxy)phenyl]-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 174172745
methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate
CID 177379015
N-(3-bromophenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 8991381
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 171727968
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787095
N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100785831

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide (CID 53061801) is N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide is CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is QHFVMWDVRKUNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3S2/c1-3-14-7-9-17(10-8-14)23(2)28(25,26)18-11-12-27-19(18)20(24)22-16-6-4-5-15(21)13-16/h4-13H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 479.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 53061801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).