2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide

C24H26BrN3O4S2 — CID 5258347

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Br)s2)cc1C
InChIInChI=1S/C24H26BrN3O4S2/c1-15-5-7-19(11-17(15)3)26-22(29)13-28(34(31,32)24-10-9-21(25)33-24)14-23(30)27-20-8-6-16(2)18(4)12-20/h5-12H,13-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyYCYBVHYGJMQMHG-UHFFFAOYSA-N
MW564.53 g/mol
LogP5.01
Rot. Bonds8

About 2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide

2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 5258347) has the molecular formula C24H26BrN3O4S2 and a molecular weight of 564.53 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID5258347
Molecular FormulaC24H26BrN3O4S2
Molecular Weight564.53 g/mol
Exact Mass563.05
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Br)s2)cc1C
InChIInChI=1S/C24H26BrN3O4S2/c1-15-5-7-19(11-17(15)3)26-22(29)13-28(34(31,32)24-10-9-21(25)33-24)14-23(30)27-20-8-6-16(2)18(4)12-20/h5-12H,13-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyYCYBVHYGJMQMHG-UHFFFAOYSA-N
XLogP5.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.53
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 9299122
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 40751541
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15996234
2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 45374154
N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 99818118
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147743
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
CID 15999318
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide (CID 5258347) is 2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Br)s2)cc1C.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is YCYBVHYGJMQMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O4S2/c1-15-5-7-19(11-17(15)3)26-22(29)13-28(34(31,32)24-10-9-21(25)33-24)14-23(30)27-20-8-6-16(2)18(4)12-20/h5-12H,13-14H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 564.53 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 5258347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).