N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C15H13ClN2OS — CID 3225317

IUPACN-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2Cl)cc2sccc21
InChIInChI=1S/C15H13ClN2OS/c1-18-12-6-7-20-14(12)8-13(18)15(19)17-9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyBNFHTNGUMQEIHL-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.82
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225317) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225317
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2Cl)cc2sccc21
InChIInChI=1S/C15H13ClN2OS/c1-18-12-6-7-20-14(12)8-13(18)15(19)17-9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyBNFHTNGUMQEIHL-UHFFFAOYSA-N
XLogP3.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 6487946
4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
CID 39733814
N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134528
N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 75767553
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039194
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225265
N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 145027417
4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 71945899
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 3225317) is N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)NCc2ccccc2Cl)cc2sccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is BNFHTNGUMQEIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-18-12-6-7-20-14(12)8-13(18)15(19)17-9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 304.80 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).