N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C24H20N4O3S — CID 167852198

IUPACN-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NCC(NC(=O)c2cc(O)cc(C#N)c2)c2ccccc2)cc2sccc21
InChIInChI=1S/C24H20N4O3S/c1-28-20-7-8-32-22(20)12-21(28)24(31)26-14-19(16-5-3-2-4-6-16)27-23(30)17-9-15(13-25)10-18(29)11-17/h2-12,19,29H,14H2,1H3,(H,26,31)(H,27,30)
InChIKeyFZBCWVIBDHSNOS-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.72
Rot. Bonds6

About N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 167852198) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID167852198
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC NameN-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NCC(NC(=O)c2cc(O)cc(C#N)c2)c2ccccc2)cc2sccc21
InChIInChI=1S/C24H20N4O3S/c1-28-20-7-8-32-22(20)12-21(28)24(31)26-14-19(16-5-3-2-4-6-16)27-23(30)17-9-15(13-25)10-18(29)11-17/h2-12,19,29H,14H2,1H3,(H,26,31)(H,27,30)
InChIKeyFZBCWVIBDHSNOS-UHFFFAOYSA-N
XLogP3.72
TPSA107.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877133
N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 166340750
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 75767553
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225317
N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3695779
3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 110004090
[(2S)-2-[(3-cyanobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937133
4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225265
N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225249
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437573
4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 75770167
N-(2-cyanoethyl)-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide
CID 53015597

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 167852198) is N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)NCC(NC(=O)c2cc(O)cc(C#N)c2)c2ccccc2)cc2sccc21.
What is the InChIKey of N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is FZBCWVIBDHSNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-28-20-7-8-32-22(20)12-21(28)24(31)26-14-19(16-5-3-2-4-6-16)27-23(30)17-9-15(13-25)10-18(29)11-17/h2-12,19,29H,14H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-5-hydroxybenzoyl)amino]-2-phenylethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 167852198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).