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

C18H20ClN3OS — CID 53139853

IUPACN-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)c(Cl)c1
InChIInChI=1S/C18H20ClN3OS/c1-10-5-6-14(13(19)7-10)21-18(23)16-12(9-22(3)4)17-15(20-16)8-11(2)24-17/h5-8,20H,9H2,1-4H3,(H,21,23)
InChIKeyLNIBWZRLQDFNAC-UHFFFAOYSA-N
MW361.90 g/mol
LogP4.81
Rot. Bonds4

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

N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139853) has the molecular formula C18H20ClN3OS and a molecular weight of 361.90 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139853
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC NameN-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)c(Cl)c1
InChIInChI=1S/C18H20ClN3OS/c1-10-5-6-14(13(19)7-10)21-18(23)16-12(9-22(3)4)17-15(20-16)8-11(2)24-17/h5-8,20H,9H2,1-4H3,(H,21,23)
InChIKeyLNIBWZRLQDFNAC-UHFFFAOYSA-N
XLogP4.81
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721683
6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139911
N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139870
methyl 5-[(2-chloro-4-methylphenyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 30848189
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
3-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 5185005
N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 174298533
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139853) is N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LNIBWZRLQDFNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS/c1-10-5-6-14(13(19)7-10)21-18(23)16-12(9-22(3)4)17-15(20-16)8-11(2)24-17/h5-8,20H,9H2,1-4H3,(H,21,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 361.90 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).