N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide

C19H24ClN3O2S — CID 8791826

IUPACN-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C19H24ClN3O2S/c1-4-23(11-18(24)21-14(3)17-6-5-9-26-17)12-19(25)22-16-10-15(20)8-7-13(16)2/h5-10,14H,4,11-12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeySSYGSFXJRXNEBP-CQSZACIVSA-N
MW393.94 g/mol
LogP3.85
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide (PubChem CID 8791826) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
PubChem CID8791826
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C19H24ClN3O2S/c1-4-23(11-18(24)21-14(3)17-6-5-9-26-17)12-19(25)22-16-10-15(20)8-7-13(16)2/h5-10,14H,4,11-12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeySSYGSFXJRXNEBP-CQSZACIVSA-N
XLogP3.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide with MolForge

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181621
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18135124
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8791816
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565573
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565572
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636423

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide (CID 8791826) is N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N[C@H](C)c1cccs1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide?
The InChIKey is SSYGSFXJRXNEBP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-4-23(11-18(24)21-14(3)17-6-5-9-26-17)12-19(25)22-16-10-15(20)8-7-13(16)2/h5-10,14H,4,11-12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m1/s1.
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide has a molecular weight of 393.94 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 8791826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).