2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C16H19BrN2O5S2 — CID 11957242

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1OC
InChIInChI=1S/C16H19BrN2O5S2/c1-23-12-4-3-11(9-13(12)24-2)7-8-18-15(20)10-19-26(21,22)16-6-5-14(17)25-16/h3-6,9,19H,7-8,10H2,1-2H3,(H,18,20)
InChIKeyHZMULYPGJAMJRE-UHFFFAOYSA-N
MW463.38 g/mol
LogP2.16
Rot. Bonds9

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 11957242) has the molecular formula C16H19BrN2O5S2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID11957242
Molecular FormulaC16H19BrN2O5S2
Molecular Weight463.38 g/mol
Exact Mass461.99
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1OC
InChIInChI=1S/C16H19BrN2O5S2/c1-23-12-4-3-11(9-13(12)24-2)7-8-18-15(20)10-19-26(21,22)16-6-5-14(17)25-16/h3-6,9,19H,7-8,10H2,1-2H3,(H,18,20)
InChIKeyHZMULYPGJAMJRE-UHFFFAOYSA-N
XLogP2.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 2206758
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2397966
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
CID 3237737
N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3239350
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4784924
N1-((3-((4-bromophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(3,4-dimethoxyphenethyl)oxalamide
CID 12005822
N~2~-[(5-bromothien-2-yl)sulfonyl]-N~1~-(3-methoxybenzyl)glycinamide
CID 16002445
N-[(3-Methoxyphenyl)methyl]-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
CID 22430642
N~1~-(1,3-benzodioxol-5-ylmethyl)-N~2~-[(5-bromothien-2-yl)sulfonyl]glycinamide
CID 3239591
3-(5-Bromothiophene-2-sulfonamido)-N-[(3-methoxyphenyl)methyl]propanamide
CID 15997663
N-[2-(3,4-Dimethoxyphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 16194052
3-(5-Bromothiophene-2-sulfonamido)-N-[(4-methoxyphenyl)methyl]propanamide
CID 24793646

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 11957242) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1OC.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is HZMULYPGJAMJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O5S2/c1-23-12-4-3-11(9-13(12)24-2)7-8-18-15(20)10-19-26(21,22)16-6-5-14(17)25-16/h3-6,9,19H,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 463.38 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 11957242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).