4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide

C25H26N4O2S — CID 42934708

IUPAC4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide
SMILESO=C(NCC(c1cccs1)c1c[nH]c2ccccc12)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C25H26N4O2S/c30-23-9-4-3-8-22(23)28-11-13-29(14-12-28)25(31)27-17-20(24-10-5-15-32-24)19-16-26-21-7-2-1-6-18(19)21/h1-10,15-16,20,26,30H,11-14,17H2,(H,27,31)
InChIKeyDTDXZBSWDFSROQ-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.60
Rot. Bonds5

About 4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide

4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide (PubChem CID 42934708) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide
PubChem CID42934708
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide
SMILESO=C(NCC(c1cccs1)c1c[nH]c2ccccc12)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C25H26N4O2S/c30-23-9-4-3-8-22(23)28-11-13-29(14-12-28)25(31)27-17-20(24-10-5-15-32-24)19-16-26-21-7-2-1-6-18(19)21/h1-10,15-16,20,26,30H,11-14,17H2,(H,27,31)
InChIKeyDTDXZBSWDFSROQ-UHFFFAOYSA-N
XLogP4.60
TPSA71.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 42934711
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 9452151
4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide
CID 112831737
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 55329076
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 51924941
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 27770982
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propan-1-one
CID 8645646
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide (CID 42934708) is 4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide is O=C(NCC(c1cccs1)c1c[nH]c2ccccc12)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide?
The InChIKey is DTDXZBSWDFSROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c30-23-9-4-3-8-22(23)28-11-13-29(14-12-28)25(31)27-17-20(24-10-5-15-32-24)19-16-26-21-7-2-1-6-18(19)21/h1-10,15-16,20,26,30H,11-14,17H2,(H,27,31).
What are the key properties of 4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide?
4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 42934708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).