N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

C17H18ClN3OS — CID 170721683

IUPACN-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccccc3Cl)c(CN(C)C)c2s1
InChIInChI=1S/C17H18ClN3OS/c1-10-8-14-16(23-10)11(9-21(2)3)15(19-14)17(22)20-13-7-5-4-6-12(13)18/h4-8,19H,9H2,1-3H3,(H,20,22)
InChIKeyBAFYDVUTMRWVOT-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.51
Rot. Bonds4

About N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 170721683) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID170721683
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC NameN-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccccc3Cl)c(CN(C)C)c2s1
InChIInChI=1S/C17H18ClN3OS/c1-10-8-14-16(23-10)11(9-21(2)3)15(19-14)17(22)20-13-7-5-4-6-12(13)18/h4-8,19H,9H2,1-3H3,(H,20,22)
InChIKeyBAFYDVUTMRWVOT-UHFFFAOYSA-N
XLogP4.51
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139853
N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139870
N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 174298533
2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721646
N-(2-chlorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721645
N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205194
N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721628
ethyl 4-[(2-chlorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 43953851
N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2742882
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001301
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 170721683) is N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2[nH]c(C(=O)Nc3ccccc3Cl)c(CN(C)C)c2s1.
What is the InChIKey of N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is BAFYDVUTMRWVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c1-10-8-14-16(23-10)11(9-21(2)3)15(19-14)17(22)20-13-7-5-4-6-12(13)18/h4-8,19H,9H2,1-3H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 347.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 170721683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).