N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide

C21H29N3OS — CID 30604751

IUPACN-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H29N3OS/c1-3-4-17-5-7-18(8-6-17)21(25)22-15-20(19-9-14-26-16-19)24-12-10-23(2)11-13-24/h5-9,14,16,20H,3-4,10-13,15H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyCOUPJWZHTFLGOE-FQEVSTJZSA-N
MW371.55 g/mol
LogP3.42
Rot. Bonds7

About N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide

N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide (PubChem CID 30604751) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide
PubChem CID30604751
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H29N3OS/c1-3-4-17-5-7-18(8-6-17)21(25)22-15-20(19-9-14-26-16-19)24-12-10-23(2)11-13-24/h5-9,14,16,20H,3-4,10-13,15H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyCOUPJWZHTFLGOE-FQEVSTJZSA-N
XLogP3.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931378
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
CID 16931459
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzenesulfonamide
CID 16932932
2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931447
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931428
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931446
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide
CID 16931437
4-ethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931313
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide?
The IUPAC name of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide (CID 30604751) is N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide.
What is the SMILES notation for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide?
The canonical SMILES for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide is CCCc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide?
The InChIKey is COUPJWZHTFLGOE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-3-4-17-5-7-18(8-6-17)21(25)22-15-20(19-9-14-26-16-19)24-12-10-23(2)11-13-24/h5-9,14,16,20H,3-4,10-13,15H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide?
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide has a molecular weight of 371.55 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide is sourced from PubChem (CID 30604751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).