2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide

C14H15BrN2O4S2 — CID 15995263

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2O4S2/c1-17(23(19,20)14-8-7-12(15)22-14)9-13(18)16-10-3-5-11(21-2)6-4-10/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyAEUQKCSMZNWZGZ-UHFFFAOYSA-N
MW419.32 g/mol
LogP2.78
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide

2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 15995263) has the molecular formula C14H15BrN2O4S2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID15995263
Molecular FormulaC14H15BrN2O4S2
Molecular Weight419.32 g/mol
Exact Mass417.97
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2O4S2/c1-17(23(19,20)14-8-7-12(15)22-14)9-13(18)16-10-3-5-11(21-2)6-4-10/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyAEUQKCSMZNWZGZ-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide (CID 15995263) is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is AEUQKCSMZNWZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4S2/c1-17(23(19,20)14-8-7-12(15)22-14)9-13(18)16-10-3-5-11(21-2)6-4-10/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 419.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 15995263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).