N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide

C22H29N5O2S — CID 112822036

IUPACN-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCCN2c2nccs2)CC1
InChIInChI=1S/C22H29N5O2S/c1-2-17-6-3-4-7-18(17)24-20(28)16-25-11-13-26(14-12-25)21(29)19-8-5-10-27(19)22-23-9-15-30-22/h3-4,6-7,9,15,19H,2,5,8,10-14,16H2,1H3,(H,24,28)
InChIKeyPBWXYSJFLPVSSP-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.46
Rot. Bonds6

About N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide (PubChem CID 112822036) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
PubChem CID112822036
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC NameN-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCCN2c2nccs2)CC1
InChIInChI=1S/C22H29N5O2S/c1-2-17-6-3-4-7-18(17)24-20(28)16-25-11-13-26(14-12-25)21(29)19-8-5-10-27(19)22-23-9-15-30-22/h3-4,6-7,9,15,19H,2,5,8,10-14,16H2,1H3,(H,24,28)
InChIKeyPBWXYSJFLPVSSP-UHFFFAOYSA-N
XLogP2.46
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide
CID 86844281
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanone
CID 112822140
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55987825
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanone
CID 112822227
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 36871528
2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 31298051
(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124546926
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17425103
2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 17395764

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide (CID 112822036) is N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCCN2c2nccs2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is PBWXYSJFLPVSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-2-17-6-3-4-7-18(17)24-20(28)16-25-11-13-26(14-12-25)21(29)19-8-5-10-27(19)22-23-9-15-30-22/h3-4,6-7,9,15,19H,2,5,8,10-14,16H2,1H3,(H,24,28).
What are the key properties of N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 427.57 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 112822036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).