N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C22H28N4O2S — CID 3242909

IUPACN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)c3cc4sccc4n3C)CC2)cc1
InChIInChI=1S/C22H28N4O2S/c1-24-19-8-15-29-21(19)16-20(24)22(27)23-9-3-10-25-11-13-26(14-12-25)17-4-6-18(28-2)7-5-17/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,27)
InChIKeyIOLHLRYDZRFSJM-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.19
Rot. Bonds7

About N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3242909) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3242909
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)c3cc4sccc4n3C)CC2)cc1
InChIInChI=1S/C22H28N4O2S/c1-24-19-8-15-29-21(19)16-20(24)22(27)23-9-3-10-25-11-13-26(14-12-25)17-4-6-18(28-2)7-5-17/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,27)
InChIKeyIOLHLRYDZRFSJM-UHFFFAOYSA-N
XLogP3.19
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-~{n}-[2-[[4-[[(3~{r})-Pyrrolidin-3-Yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-B]pyrrole-5-Carboxamide
CID 118913652
4-Methyl-~{n}-[2-[[4-(1-Methylpiperidin-4-Yl)oxyphenoxy]methyl]phenyl]thieno[3,2-B]pyrrole-5-Carboxamide
CID 118913699
4-Methyl-N-[4-[[4-[(1-Methyl-4-Piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-B]pyrrole-5-Carboxamide
CID 118913697
Methyl trans-4-(4-(2-(ethyl(3-methoxyphenyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (26)
CID 124155062
N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 3241707
N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 9550375
N-[2-(3,4-diethoxyphenyl)ethyl]-4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
CID 46916308
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide
CID 46916320
4-methyl-N-[2-[[3-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913654
4-methyl-N-[2-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methoxy]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913656
4-methyl-N-[2-[(4-piperidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913660
4-methyl-N-[2-[(4-piperidin-4-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913664

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 3242909) is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(N2CCN(CCCNC(=O)c3cc4sccc4n3C)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is IOLHLRYDZRFSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-24-19-8-15-29-21(19)16-20(24)22(27)23-9-3-10-25-11-13-26(14-12-25)17-4-6-18(28-2)7-5-17/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,27).
What are the key properties of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3242909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).