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

C23H21FN2OS — CID 46039574

IUPACN-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCc3ccccc3F)n2Cc2ccccc2C)s1
InChIInChI=1S/C23H21FN2OS/c1-15-7-3-4-9-18(15)14-26-20-11-16(2)28-22(20)12-21(26)23(27)25-13-17-8-5-6-10-19(17)24/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyBQNYCUOCBMIWIG-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.44
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039574) has the molecular formula C23H21FN2OS and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039574
Molecular FormulaC23H21FN2OS
Molecular Weight392.50 g/mol
Exact Mass392.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCc3ccccc3F)n2Cc2ccccc2C)s1
InChIInChI=1S/C23H21FN2OS/c1-15-7-3-4-9-18(15)14-26-20-11-16(2)28-22(20)12-21(26)23(27)25-13-17-8-5-6-10-19(17)24/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyBQNYCUOCBMIWIG-UHFFFAOYSA-N
XLogP5.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039387
2-bromo-4-[(2-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848748
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049
4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039431
4-[(3-fluorophenyl)methyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039597
4-[(2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46038876
4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039675
4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848744
N-ethyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039051
N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848733
4-[(2-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848588

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 46039574) is N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NCc3ccccc3F)n2Cc2ccccc2C)s1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is BQNYCUOCBMIWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2OS/c1-15-7-3-4-9-18(15)14-26-20-11-16(2)28-22(20)12-21(26)23(27)25-13-17-8-5-6-10-19(17)24/h3-12H,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).