2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide

C30H38N4O2S — CID 166382013

IUPAC2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide
SMILESCC(C)CC1CN(CCCc2ccccc2)CCN1C(=O)Nc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C30H38N4O2S/c1-23(2)19-27-22-33(15-7-11-24-9-4-3-5-10-24)16-17-34(27)30(36)32-26-13-6-12-25(20-26)29(35)31-21-28-14-8-18-37-28/h3-6,8-10,12-14,18,20,23,27H,7,11,15-17,19,21-22H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyXZISWFCBSKUCLD-UHFFFAOYSA-N
MW518.73 g/mol
LogP5.88
Rot. Bonds10

About 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide

2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide (PubChem CID 166382013) has the molecular formula C30H38N4O2S and a molecular weight of 518.73 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide
PubChem CID166382013
Molecular FormulaC30H38N4O2S
Molecular Weight518.73 g/mol
Exact Mass518.27
IUPAC Name2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide
SMILESCC(C)CC1CN(CCCc2ccccc2)CCN1C(=O)Nc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C30H38N4O2S/c1-23(2)19-27-22-33(15-7-11-24-9-4-3-5-10-24)16-17-34(27)30(36)32-26-13-6-12-25(20-26)29(35)31-21-28-14-8-18-37-28/h3-6,8-10,12-14,18,20,23,27H,7,11,15-17,19,21-22H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyXZISWFCBSKUCLD-UHFFFAOYSA-N
XLogP5.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.73
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-phenylmethoxyphenyl)methyl]-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 166382022
3-[(1-benzyl-4-methylpyrrolidin-3-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381978
3-[[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166382027
3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381990
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381996
N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 56577546
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55969629
3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 167922292
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
1-[[3-(benzylcarbamoyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102694
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide (CID 166382013) is 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide is CC(C)CC1CN(CCCc2ccccc2)CCN1C(=O)Nc1cccc(C(=O)NCc2cccs2)c1.
What is the InChIKey of 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide?
The InChIKey is XZISWFCBSKUCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2S/c1-23(2)19-27-22-33(15-7-11-24-9-4-3-5-10-24)16-17-34(27)30(36)32-26-13-6-12-25(20-26)29(35)31-21-28-14-8-18-37-28/h3-6,8-10,12-14,18,20,23,27H,7,11,15-17,19,21-22H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide?
2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide has a molecular weight of 518.73 g/mol, XLogP of 5.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-(3-phenylpropyl)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 166382013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).