2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide

C15H17BrN2O4S2 — CID 22430642

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H17BrN2O4S2/c1-18(24(20,21)15-7-6-13(16)23-15)10-14(19)17-9-11-4-3-5-12(8-11)22-2/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyOCSWRTNGWASDQL-UHFFFAOYSA-N
MW433.35 g/mol
LogP2.46
Rot. Bonds7

About 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide

2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 22430642) has the molecular formula C15H17BrN2O4S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID22430642
Molecular FormulaC15H17BrN2O4S2
Molecular Weight433.35 g/mol
Exact Mass431.98
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H17BrN2O4S2/c1-18(24(20,21)15-7-6-13(16)23-15)10-14(19)17-9-11-4-3-5-12(8-11)22-2/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyOCSWRTNGWASDQL-UHFFFAOYSA-N
XLogP2.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 52.46
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-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide (CID 22430642) is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is OCSWRTNGWASDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S2/c1-18(24(20,21)15-7-6-13(16)23-15)10-14(19)17-9-11-4-3-5-12(8-11)22-2/h3-8H,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 433.35 g/mol, XLogP of 2.46, 7 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-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 22430642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).