N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C17H18N2O2S — CID 145027417

IUPACN-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1C
InChIInChI=1S/C17H18N2O2S/c1-11-12(10-21-3)5-4-6-13(11)18-17(20)15-9-16-14(19(15)2)7-8-22-16/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyFOBDOBGKKILBFA-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.95
Rot. Bonds4

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

N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 145027417) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID145027417
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1C
InChIInChI=1S/C17H18N2O2S/c1-11-12(10-21-3)5-4-6-13(11)18-17(20)15-9-16-14(19(15)2)7-8-22-16/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyFOBDOBGKKILBFA-UHFFFAOYSA-N
XLogP3.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225249
4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225265
4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 6487946
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225317
4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol
CID 145027446
tert-butyl (3S)-3-[[4-[[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]phenyl]methoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 118931276
4-methyl-N-[2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide;hydrochloride
CID 130404907
N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3695779
methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883253
tert-butyl 4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]phenyl]methoxy]anilino]piperidine-1-carboxylate
CID 118913694
methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883410
N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039047

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 145027417) is N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is COCc1cccc(NC(=O)c2cc3sccc3n2C)c1C.
What is the InChIKey of N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is FOBDOBGKKILBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-12(10-21-3)5-4-6-13(11)18-17(20)15-9-16-14(19(15)2)7-8-22-16/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 145027417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).