5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide

C16H18BrN3O3S2 — CID 1247700

IUPAC5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)CC1
InChIInChI=1S/C16H18BrN3O3S2/c1-19-8-10-20(11-9-19)25(22,23)13-4-2-12(3-5-13)18-16(21)14-6-7-15(17)24-14/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyMFIBEKFYSPVTCF-UHFFFAOYSA-N
MW444.38 g/mol
LogP2.70
Rot. Bonds4

About 5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide

5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide (PubChem CID 1247700) has the molecular formula C16H18BrN3O3S2 and a molecular weight of 444.38 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
PubChem CID1247700
Molecular FormulaC16H18BrN3O3S2
Molecular Weight444.38 g/mol
Exact Mass443.00
IUPAC Name5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)CC1
InChIInChI=1S/C16H18BrN3O3S2/c1-19-8-10-20(11-9-19)25(22,23)13-4-2-12(3-5-13)18-16(21)14-6-7-15(17)24-14/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyMFIBEKFYSPVTCF-UHFFFAOYSA-N
XLogP2.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
N-(4-fluorophenyl)-4-(piperidin-1-ylsulfonyl)thiophene-2-carboxamide
CID 1252955
N-[4-(diethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 730596
5-bromo-N-(4-methylphenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 992214
N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-2-thiophenecarboxamide
CID 1094288
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-(2-fluorophenyl)-4-(1-piperidinylsulfonyl)-2-thiophenecarboxamide
CID 1310286
N-[4-(dibutylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2186090
Thiophene-2-carboxylic acid [4-(4-phenyl-piperazine-1-sulfonyl)-phenyl]-amide
CID 2215718
N'-(4-bromophenyl)-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]oxamide
CID 2931346
5-bromo-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 3241003
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide
CID 7188775

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide (CID 1247700) is 5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)CC1.
What is the InChIKey of 5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The InChIKey is MFIBEKFYSPVTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3S2/c1-19-8-10-20(11-9-19)25(22,23)13-4-2-12(3-5-13)18-16(21)14-6-7-15(17)24-14/h2-7H,8-11H2,1H3,(H,18,21).
What are the key properties of 5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide has a molecular weight of 444.38 g/mol, XLogP of 2.70, 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-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1247700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).