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

C14H14BrClN2O4S2 — CID 15989652

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrClN2O4S2/c1-18(24(20,21)14-6-5-12(15)23-14)8-13(19)17-10-7-9(16)3-4-11(10)22-2/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyUUJSUWIFNRJUKB-UHFFFAOYSA-N
MW453.77 g/mol
LogP3.43
Rot. Bonds6

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

2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 15989652) has the molecular formula C14H14BrClN2O4S2 and a molecular weight of 453.77 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID15989652
Molecular FormulaC14H14BrClN2O4S2
Molecular Weight453.77 g/mol
Exact Mass451.93
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrClN2O4S2/c1-18(24(20,21)14-6-5-12(15)23-14)8-13(19)17-10-7-9(16)3-4-11(10)22-2/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyUUJSUWIFNRJUKB-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.77
LogP ≤ 53.43
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-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 15989652) is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is UUJSUWIFNRJUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O4S2/c1-18(24(20,21)14-6-5-12(15)23-14)8-13(19)17-10-7-9(16)3-4-11(10)22-2/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 453.77 g/mol, XLogP of 3.43, 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-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 15989652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).