2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate

C16H16BrNO4S2 — CID 166208055

IUPAC2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)OCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16BrNO4S2/c17-14-6-7-16(23-14)24(20,21)18-9-15(19)22-10-11-4-5-12-2-1-3-13(12)8-11/h4-8,18H,1-3,9-10H2
InChIKeyZSXJYUPLZSAENG-UHFFFAOYSA-N
MW430.35 g/mol
LogP3.02
Rot. Bonds6

About 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate

2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate (PubChem CID 166208055) has the molecular formula C16H16BrNO4S2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
PubChem CID166208055
Molecular FormulaC16H16BrNO4S2
Molecular Weight430.35 g/mol
Exact Mass428.97
IUPAC Name2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)OCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16BrNO4S2/c17-14-6-7-16(23-14)24(20,21)18-9-15(19)22-10-11-4-5-12-2-1-3-13(12)8-11/h4-8,18H,1-3,9-10H2
InChIKeyZSXJYUPLZSAENG-UHFFFAOYSA-N
XLogP3.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847537
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 110407051
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869
N'-(5-bromothiophen-2-yl)sulfonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 26968592
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3298389
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
CID 6621397
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 119376871
5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 54903909
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847645

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
The IUPAC name of 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate (CID 166208055) is 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
The canonical SMILES for 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1ccc(Br)s1)OCc1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
The InChIKey is ZSXJYUPLZSAENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4S2/c17-14-6-7-16(23-14)24(20,21)18-9-15(19)22-10-11-4-5-12-2-1-3-13(12)8-11/h4-8,18H,1-3,9-10H2.
What are the key properties of 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate has a molecular weight of 430.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate is sourced from PubChem (CID 166208055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).