N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide

C28H34N4O2S — CID 45281305

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESCc1ccc(C(NCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c2cccs2)cc1
InChIInChI=1S/C28H34N4O2S/c1-20-9-11-23(12-10-20)28(24-8-5-17-35-24)29-18-26(34)32-15-13-31(14-16-32)19-25(33)30-27-21(2)6-4-7-22(27)3/h4-12,17,28-29H,13-16,18-19H2,1-3H3,(H,30,33)
InChIKeyRFNHONDNTOGJSW-UHFFFAOYSA-N
MW490.67 g/mol
LogP4.14
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide (PubChem CID 45281305) has the molecular formula C28H34N4O2S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide
PubChem CID45281305
Molecular FormulaC28H34N4O2S
Molecular Weight490.67 g/mol
Exact Mass490.24
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESCc1ccc(C(NCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c2cccs2)cc1
InChIInChI=1S/C28H34N4O2S/c1-20-9-11-23(12-10-20)28(24-8-5-17-35-24)29-18-26(34)32-15-13-31(14-16-32)19-25(33)30-27-21(2)6-4-7-22(27)3/h4-12,17,28-29H,13-16,18-19H2,1-3H3,(H,30,33)
InChIKeyRFNHONDNTOGJSW-UHFFFAOYSA-N
XLogP4.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627443
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8868503
2-[4-[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8863950
N-butyl-2-[4-[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8865534
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 24674862
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
2-[4-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8640450
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18088811
1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one
CID 9052527
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8869335
2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8864417
N-(2,6-dimethylphenyl)-2-[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 31785049

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide (CID 45281305) is N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide is Cc1ccc(C(NCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c2cccs2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is RFNHONDNTOGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2S/c1-20-9-11-23(12-10-20)28(24-8-5-17-35-24)29-18-26(34)32-15-13-31(14-16-32)19-25(33)30-27-21(2)6-4-7-22(27)3/h4-12,17,28-29H,13-16,18-19H2,1-3H3,(H,30,33).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 490.67 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 45281305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).