N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide

C18H22N2O2S — CID 75414577

IUPACN-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1cc(C(C)NC(=O)CNC(=O)c2ccccc2C)c(C)s1
InChIInChI=1S/C18H22N2O2S/c1-11-7-5-6-8-15(11)18(22)19-10-17(21)20-13(3)16-9-12(2)23-14(16)4/h5-9,13H,10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyCWVBYHUXMWFUSL-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.28
Rot. Bonds5

About N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide

N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 75414577) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide
PubChem CID75414577
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1cc(C(C)NC(=O)CNC(=O)c2ccccc2C)c(C)s1
InChIInChI=1S/C18H22N2O2S/c1-11-7-5-6-8-15(11)18(22)19-10-17(21)20-13(3)16-9-12(2)23-14(16)4/h5-9,13H,10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyCWVBYHUXMWFUSL-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51937950
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 47297770
N-[2-[1-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 51292786
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide
CID 122132930
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 24594478
N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 26752505
2,4-dichloro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 51164454
N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910539
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide (CID 75414577) is N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide is Cc1cc(C(C)NC(=O)CNC(=O)c2ccccc2C)c(C)s1.
What is the InChIKey of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is CWVBYHUXMWFUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-11-7-5-6-8-15(11)18(22)19-10-17(21)20-13(3)16-9-12(2)23-14(16)4/h5-9,13H,10H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 330.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 75414577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).