N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide

C16H13BrN2OS — CID 3285131

IUPACN-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
SMILESO=C(CSc1c[nH]c2ccccc12)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2OS/c17-11-5-7-12(8-6-11)19-16(20)10-21-15-9-18-14-4-2-1-3-13(14)15/h1-9,18H,10H2,(H,19,20)
InChIKeyJVRMMRXXEOGCSQ-UHFFFAOYSA-N
MW361.26 g/mol
LogP4.66
Rot. Bonds4

About N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide

N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide (PubChem CID 3285131) has the molecular formula C16H13BrN2OS and a molecular weight of 361.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
PubChem CID3285131
Molecular FormulaC16H13BrN2OS
Molecular Weight361.26 g/mol
Exact Mass359.99
IUPAC NameN-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
SMILESO=C(CSc1c[nH]c2ccccc12)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2OS/c17-11-5-7-12(8-6-11)19-16(20)10-21-15-9-18-14-4-2-1-3-13(14)15/h1-9,18H,10H2,(H,19,20)
InChIKeyJVRMMRXXEOGCSQ-UHFFFAOYSA-N
XLogP4.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide 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

2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4164690
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
2-[[5-[1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide
CID 4254297
2-[[5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide;hydrochloride
CID 52994483
N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 4608475
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-(4-bromophenyl)-2-[[5-(1H-indol-3-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3486252
N-(4-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4605482
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
N-(4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4814655

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide (CID 3285131) is N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide is O=C(CSc1c[nH]c2ccccc12)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
The InChIKey is JVRMMRXXEOGCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2OS/c17-11-5-7-12(8-6-11)19-16(20)10-21-15-9-18-14-4-2-1-3-13(14)15/h1-9,18H,10H2,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide has a molecular weight of 361.26 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide is sourced from PubChem (CID 3285131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).