5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

C16H17BrN2O4S2 — CID 992214

IUPAC5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Br)s2)cc1
InChIInChI=1S/C16H17BrN2O4S2/c1-11-2-4-12(5-3-11)18-16(20)13-10-14(15(17)24-13)25(21,22)19-6-8-23-9-7-19/h2-5,10H,6-9H2,1H3,(H,18,20)
InChIKeyZDUSXUZUDRAZTD-UHFFFAOYSA-N
MW445.36 g/mol
LogP3.09
Rot. Bonds4

About 5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 992214) has the molecular formula C16H17BrN2O4S2 and a molecular weight of 445.36 g/mol. Its IUPAC name is 5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID992214
Molecular FormulaC16H17BrN2O4S2
Molecular Weight445.36 g/mol
Exact Mass443.98
IUPAC Name5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Br)s2)cc1
InChIInChI=1S/C16H17BrN2O4S2/c1-11-2-4-12(5-3-11)18-16(20)13-10-14(15(17)24-13)25(21,22)19-6-8-23-9-7-19/h2-5,10H,6-9H2,1H3,(H,18,20)
InChIKeyZDUSXUZUDRAZTD-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
CID 4791406
4-ethyl-5-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1246818
5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 1247700
2-{[(5-bromo-2-thienyl)sulfonyl]amino}-N-(2-methoxyethyl)benzamide
CID 2210754
N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2414996
N-(3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4188174
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 5176676
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16546078
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24687499
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24816698
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24979500
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24979750

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 992214) is 5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is ZDUSXUZUDRAZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S2/c1-11-2-4-12(5-3-11)18-16(20)13-10-14(15(17)24-13)25(21,22)19-6-8-23-9-7-19/h2-5,10H,6-9H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 445.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 992214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).