N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide

C22H26N4O2S — CID 139793583

IUPACN-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2OCc2cccs2)CC1)c1ccc[nH]1
InChIInChI=1S/C22H26N4O2S/c27-22(19-6-3-9-23-19)24-10-11-25-12-14-26(15-13-25)20-7-1-2-8-21(20)28-17-18-5-4-16-29-18/h1-9,16,23H,10-15,17H2,(H,24,27)
InChIKeyVJLHYSBNHDNEPJ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.21
Rot. Bonds8

About N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide

N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 139793583) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID139793583
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2OCc2cccs2)CC1)c1ccc[nH]1
InChIInChI=1S/C22H26N4O2S/c27-22(19-6-3-9-23-19)24-10-11-25-12-14-26(15-13-25)20-7-1-2-8-21(20)28-17-18-5-4-16-29-18/h1-9,16,23H,10-15,17H2,(H,24,27)
InChIKeyVJLHYSBNHDNEPJ-UHFFFAOYSA-N
XLogP3.21
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrrole-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9928647
N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-1H-pyrrole-2-carboxamide
CID 10087901
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 10315346
1H-Pyrrole-2-carboxylic acid {3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amide
CID 10405125
N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 1441354
fur-2-oyl-Gly-DL-N(pyrid-3-yl)Gly(thien-2-yl)-NHcPent
CID 3211413
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
CID 3216722
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 645052
N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(pyridin-2-ylmethyl)butanediamide
CID 1135915
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-(4-methoxy-phenyl)-carbamoyl]-methyl}-amide
CID 3211111
Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211279
N-[2-[4-(2-methoxyphenyl)piperazino]-1-methyl-2-(2-thienyl)ethyl]nicotinamide
CID 16194545

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide (CID 139793583) is N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide is O=C(NCCN1CCN(c2ccccc2OCc2cccs2)CC1)c1ccc[nH]1.
What is the InChIKey of N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is VJLHYSBNHDNEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c27-22(19-6-3-9-23-19)24-10-11-25-12-14-26(15-13-25)20-7-1-2-8-21(20)28-17-18-5-4-16-29-18/h1-9,16,23H,10-15,17H2,(H,24,27).
What are the key properties of N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 139793583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).