N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide

C10H14BrNOS2 — CID 55028858

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS2/c1-12(10(13)3-4-14-2)6-9-5-8(11)7-15-9/h5,7H,3-4,6H2,1-2H3
InChIKeyGDBDNQDSQZNTHU-UHFFFAOYSA-N
MW308.27 g/mol
LogP3.22
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide (PubChem CID 55028858) has the molecular formula C10H14BrNOS2 and a molecular weight of 308.27 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
PubChem CID55028858
Molecular FormulaC10H14BrNOS2
Molecular Weight308.27 g/mol
Exact Mass306.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS2/c1-12(10(13)3-4-14-2)6-9-5-8(11)7-15-9/h5,7H,3-4,6H2,1-2H3
InChIKeyGDBDNQDSQZNTHU-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide 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

1-(4-bromothiophen-2-yl)-4-methylsulfanylbutan-2-one
CID 105092529
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
3-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912395
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566
N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 47042136
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55743062
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026055
N-[3-[(4-bromothiophen-2-yl)methyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55742991
2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-methylamino]acetic acid
CID 54984285

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide (CID 55028858) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide is CSCCC(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is GDBDNQDSQZNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS2/c1-12(10(13)3-4-14-2)6-9-5-8(11)7-15-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 308.27 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 55028858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).