2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C14H13BrN2O5S2 — CID 3236287

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13BrN2O5S2/c15-12-3-4-14(23-12)24(19,20)16-8-13(18)17-9-1-2-10-11(7-9)22-6-5-21-10/h1-4,7,16H,5-6,8H2,(H,17,18)
InChIKeyDQBZBTNMGHXPJS-UHFFFAOYSA-N
MW433.31 g/mol
LogP2.20
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 3236287) has the molecular formula C14H13BrN2O5S2 and a molecular weight of 433.31 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID3236287
Molecular FormulaC14H13BrN2O5S2
Molecular Weight433.31 g/mol
Exact Mass431.94
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13BrN2O5S2/c15-12-3-4-14(23-12)24(19,20)16-8-13(18)17-9-1-2-10-11(7-9)22-6-5-21-10/h1-4,7,16H,5-6,8H2,(H,17,18)
InChIKeyDQBZBTNMGHXPJS-UHFFFAOYSA-N
XLogP2.20
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide with MolForge

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Related Compounds

N-2,3-dihydro-1,4-benzodioxin-6-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3245817
N-(4-Methoxyphenyl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
CID 15995263
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CID 1296568
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 1244355
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2440523
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-thienylsulfonyl)amino]acetamide
CID 3245300
1-[(5-Bromothiophen-2-YL)sulfonyl]-N-(3,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 9550296
N-(3,4-Dimethoxyphenyl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
CID 16002649
N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24980787
2-{[(4-bromophenyl)sulfonyl]amino}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1006496
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 15988700
3-(5-Bromothiophene-2-sulfonamido)-N-(4-ethoxyphenyl)propanamide
CID 6621419

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 3236287) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is DQBZBTNMGHXPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O5S2/c15-12-3-4-14(23-12)24(19,20)16-8-13(18)17-9-1-2-10-11(7-9)22-6-5-21-10/h1-4,7,16H,5-6,8H2,(H,17,18).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 433.31 g/mol, XLogP of 2.20, 5 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-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 3236287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).