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

C23H21FN2OS — CID 46039387

IUPACN-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)N(C)Cc3ccccc3)n2Cc2ccccc2F)s1
InChIInChI=1S/C23H21FN2OS/c1-16-12-20-22(28-16)13-21(26(20)15-18-10-6-7-11-19(18)24)23(27)25(2)14-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3
InChIKeyDHWFOFYTIXNRFJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.47
Rot. Bonds5

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

N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039387) has the molecular formula C23H21FN2OS and a molecular weight of 392.50 g/mol. Its IUPAC name is N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039387
Molecular FormulaC23H21FN2OS
Molecular Weight392.50 g/mol
Exact Mass392.14
IUPAC NameN-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)N(C)Cc3ccccc3)n2Cc2ccccc2F)s1
InChIInChI=1S/C23H21FN2OS/c1-16-12-20-22(28-16)13-21(26(20)15-18-10-6-7-11-19(18)24)23(27)25(2)14-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3
InChIKeyDHWFOFYTIXNRFJ-UHFFFAOYSA-N
XLogP5.47
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-bromo-4-[(2-fluorophenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46040303
N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039574
N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 92987288
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxamide
CID 86852407
4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039431
2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
CID 46038790
3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054502
4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039675
2-bromo-4-[(2-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848748
2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46052279
N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848733
4-[(3-fluorophenyl)methyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039597

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide (CID 46039387) is N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)N(C)Cc3ccccc3)n2Cc2ccccc2F)s1.
What is the InChIKey of N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DHWFOFYTIXNRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2OS/c1-16-12-20-22(28-16)13-21(26(20)15-18-10-6-7-11-19(18)24)23(27)25(2)14-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3.
What are the key properties of N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide?
N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).