N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide

C32H32FN3O2S — CID 42710253

IUPACN-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C32H32FN3O2S/c33-29-14-8-25(9-15-29)24-36(31(37)23-30-7-4-22-39-30)21-18-34-16-19-35(20-17-34)32(38)28-12-10-27(11-13-28)26-5-2-1-3-6-26/h1-15,22H,16-21,23-24H2
InChIKeyBRSVQLLRFSMGLM-UHFFFAOYSA-N
MW541.69 g/mol
LogP5.58
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide

N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 42710253) has the molecular formula C32H32FN3O2S and a molecular weight of 541.69 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID42710253
Molecular FormulaC32H32FN3O2S
Molecular Weight541.69 g/mol
Exact Mass541.22
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C32H32FN3O2S/c33-29-14-8-25(9-15-29)24-36(31(37)23-30-7-4-22-39-30)21-18-34-16-19-35(20-17-34)32(38)28-12-10-27(11-13-28)26-5-2-1-3-6-26/h1-15,22H,16-21,23-24H2
InChIKeyBRSVQLLRFSMGLM-UHFFFAOYSA-N
XLogP5.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.69
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 42710256
N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide
CID 42710813
1-[(4-fluorophenyl)methyl]-1-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-3-propan-2-ylurea
CID 42709547
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710155
4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 4283328
1-[(4-fluorophenyl)methyl]-3-octyl-1-[2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethyl]urea
CID 42724750
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710174
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710160
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 42709840
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)cyclopropanecarboxamide
CID 4256501
4-bromo-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4063947

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide (CID 42710253) is N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N(CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is BRSVQLLRFSMGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN3O2S/c33-29-14-8-25(9-15-29)24-36(31(37)23-30-7-4-22-39-30)21-18-34-16-19-35(20-17-34)32(38)28-12-10-27(11-13-28)26-5-2-1-3-6-26/h1-15,22H,16-21,23-24H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 541.69 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42710253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).