2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C14H15BrN2O3S — CID 29135199

IUPAC2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(Cn1ccc2cc(Br)ccc21)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H15BrN2O3S/c15-11-1-2-13-10(7-11)3-5-17(13)8-14(18)16-12-4-6-21(19,20)9-12/h1-3,5,7,12H,4,6,8-9H2,(H,16,18)/t12-/m0/s1
InChIKeyHVXBNZGRFYLTAT-LBPRGKRZSA-N
MW371.26 g/mol
LogP1.71
Rot. Bonds3

About 2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 29135199) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID29135199
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(Cn1ccc2cc(Br)ccc21)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H15BrN2O3S/c15-11-1-2-13-10(7-11)3-5-17(13)8-14(18)16-12-4-6-21(19,20)9-12/h1-3,5,7,12H,4,6,8-9H2,(H,16,18)/t12-/m0/s1
InChIKeyHVXBNZGRFYLTAT-LBPRGKRZSA-N
XLogP1.71
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 29140198
N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 71896773
2-(6-bromo-4-oxoquinolin-1-yl)-N-cyclooctylacetamide
CID 100737684
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 97077026
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 71911996
N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide
CID 86207176
2-[5-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235539
2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 4571080
3-(4-bromophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 47366394
2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
CID 116622948
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
N-cyclopentyl-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110831029

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 29135199) is 2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is O=C(Cn1ccc2cc(Br)ccc21)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is HVXBNZGRFYLTAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c15-11-1-2-13-10(7-11)3-5-17(13)8-14(18)16-12-4-6-21(19,20)9-12/h1-3,5,7,12H,4,6,8-9H2,(H,16,18)/t12-/m0/s1.
What are the key properties of 2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 371.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 29135199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).