N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide

C20H19BrN2O3S2 — CID 27839495

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(Br)s3)cc2)cc1
InChIInChI=1S/C20H19BrN2O3S2/c1-14-3-7-16(8-4-14)22-28(25,26)18-10-5-15(6-11-18)20(24)23(2)13-17-9-12-19(21)27-17/h3-12,22H,13H2,1-2H3
InChIKeyOKPRIHKCJKIJIN-UHFFFAOYSA-N
MW479.42 g/mol
LogP4.89
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 27839495) has the molecular formula C20H19BrN2O3S2 and a molecular weight of 479.42 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID27839495
Molecular FormulaC20H19BrN2O3S2
Molecular Weight479.42 g/mol
Exact Mass478.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(Br)s3)cc2)cc1
InChIInChI=1S/C20H19BrN2O3S2/c1-14-3-7-16(8-4-14)22-28(25,26)18-10-5-15(6-11-18)20(24)23(2)13-17-9-12-19(21)27-17/h3-12,22H,13H2,1-2H3
InChIKeyOKPRIHKCJKIJIN-UHFFFAOYSA-N
XLogP4.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 4807463
N-methyl-4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020403
N-[(5-bromothiophen-2-yl)methyl]-4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 31792131
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39735566
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742323
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
CID 2343621
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
CID 9107610
N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 55360576
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 27839495) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(Br)s3)cc2)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is OKPRIHKCJKIJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3S2/c1-14-3-7-16(8-4-14)22-28(25,26)18-10-5-15(6-11-18)20(24)23(2)13-17-9-12-19(21)27-17/h3-12,22H,13H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 479.42 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27839495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).