N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide

C24H23N5OS — CID 78903823

IUPACN-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccccc1)c1cccc(CN2CCN(c3ncnc4sccc34)CC2)c1
InChIInChI=1S/C24H23N5OS/c30-23(27-20-7-2-1-3-8-20)19-6-4-5-18(15-19)16-28-10-12-29(13-11-28)22-21-9-14-31-24(21)26-17-25-22/h1-9,14-15,17H,10-13,16H2,(H,27,30)
InChIKeyYHTMKSHSMMHFOP-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.27
Rot. Bonds5

About N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide

N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide (PubChem CID 78903823) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide
PubChem CID78903823
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC NameN-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccccc1)c1cccc(CN2CCN(c3ncnc4sccc34)CC2)c1
InChIInChI=1S/C24H23N5OS/c30-23(27-20-7-2-1-3-8-20)19-6-4-5-18(15-19)16-28-10-12-29(13-11-28)22-21-9-14-31-24(21)26-17-25-22/h1-9,14-15,17H,10-13,16H2,(H,27,30)
InChIKeyYHTMKSHSMMHFOP-UHFFFAOYSA-N
XLogP4.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 78847044
N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78847132
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
2-amino-3-phenyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842585
4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 9109711
3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
CID 60523650
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 26448675
(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
CID 95318735
4-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzonitrile
CID 9109446
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-(4-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78846993
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl) N-phenylcarbamate
CID 169214322

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide (CID 78903823) is N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide is O=C(Nc1ccccc1)c1cccc(CN2CCN(c3ncnc4sccc34)CC2)c1.
What is the InChIKey of N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide?
The InChIKey is YHTMKSHSMMHFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c30-23(27-20-7-2-1-3-8-20)19-6-4-5-18(15-19)16-28-10-12-29(13-11-28)22-21-9-14-31-24(21)26-17-25-22/h1-9,14-15,17H,10-13,16H2,(H,27,30).
What are the key properties of N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide?
N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide has a molecular weight of 429.55 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 78903823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).