4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide

C16H16N2OS2 — CID 51043033

IUPAC4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCSCc1cccc(NC(=O)c2cc3sccc3n2C)c1
InChIInChI=1S/C16H16N2OS2/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyRLYUXOZMLZAAPI-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.36
Rot. Bonds4

About 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide

4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 51043033) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID51043033
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCSCc1cccc(NC(=O)c2cc3sccc3n2C)c1
InChIInChI=1S/C16H16N2OS2/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyRLYUXOZMLZAAPI-UHFFFAOYSA-N
XLogP4.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide 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-methyl-N-(3-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225230
N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 118913651
tert-butyl 4-[4-[2-[3-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]phenyl]ethyl]phenoxy]piperidine-1-carboxylate
CID 118931247
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225265
tert-butyl 3-[[4-[[3-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]phenyl]methoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 118913681
N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 145027417
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225317
N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide
CID 8777105
3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 75473310
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 75767553

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 51043033) is 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide is CSCc1cccc(NC(=O)c2cc3sccc3n2C)c1.
What is the InChIKey of 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is RLYUXOZMLZAAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 51043033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).