N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide

C24H27N3O2S — CID 8554161

IUPACN-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)c1C
InChIInChI=1S/C24H27N3O2S/c1-17-9-7-12-20(18(17)2)25-22(28)15-27(3)16-23(29)26-24(21-13-8-14-30-21)19-10-5-4-6-11-19/h4-14,24H,15-16H2,1-3H3,(H,25,28)(H,26,29)/t24-/m0/s1
InChIKeyFPWYYFDQHNTWQF-DEOSSOPVSA-N
MW421.57 g/mol
LogP4.14
Rot. Bonds8

About N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide (PubChem CID 8554161) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide
PubChem CID8554161
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)c1C
InChIInChI=1S/C24H27N3O2S/c1-17-9-7-12-20(18(17)2)25-22(28)15-27(3)16-23(29)26-24(21-13-8-14-30-21)19-10-5-4-6-11-19/h4-14,24H,15-16H2,1-3H3,(H,25,28)(H,26,29)/t24-/m0/s1
InChIKeyFPWYYFDQHNTWQF-DEOSSOPVSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide with MolForge

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Related Compounds

2-[methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786221
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348322
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46614583
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8693276
2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499467
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287679
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627443
[2-(benzhydrylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9262013
2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 51565240
2-(diethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 56538678
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8924830
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide (CID 8554161) is N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide?
The InChIKey is FPWYYFDQHNTWQF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-17-9-7-12-20(18(17)2)25-22(28)15-27(3)16-23(29)26-24(21-13-8-14-30-21)19-10-5-4-6-11-19/h4-14,24H,15-16H2,1-3H3,(H,25,28)(H,26,29)/t24-/m0/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide has a molecular weight of 421.57 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 8554161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).