3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide

C16H18BrNO3S2 — CID 15997659

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H18BrNO3S2/c1-3-12-6-4-5-11(2)16(12)18-14(19)9-10-23(20,21)15-8-7-13(17)22-15/h4-8H,3,9-10H2,1-2H3,(H,18,19)
InChIKeyNVNIRFOOOXMJPV-UHFFFAOYSA-N
MW416.36 g/mol
LogP4.18
Rot. Bonds6

About 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide

3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 15997659) has the molecular formula C16H18BrNO3S2 and a molecular weight of 416.36 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID15997659
Molecular FormulaC16H18BrNO3S2
Molecular Weight416.36 g/mol
Exact Mass414.99
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H18BrNO3S2/c1-3-12-6-4-5-11(2)16(12)18-14(19)9-10-23(20,21)15-8-7-13(17)22-15/h4-8H,3,9-10H2,1-2H3,(H,18,19)
InChIKeyNVNIRFOOOXMJPV-UHFFFAOYSA-N
XLogP4.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide 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

N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide
CID 112997037
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide
CID 5243553
5-(2-ethyl-6-methylanilino)-5-oxopentanoate
CID 4740094
3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide
CID 18076703
2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9299712
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide (CID 15997659) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is NVNIRFOOOXMJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S2/c1-3-12-6-4-5-11(2)16(12)18-14(19)9-10-23(20,21)15-8-7-13(17)22-15/h4-8H,3,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 416.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 15997659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).