2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide

C15H18N2OS — CID 61477645

IUPAC2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CNc2ccccc2)s1
InChIInChI=1S/C15H18N2OS/c1-11-8-9-14(19-11)12(2)17-15(18)10-16-13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3,(H,17,18)
InChIKeyJBRWRRZZCDBSED-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.35
Rot. Bonds5

About 2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide

2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 61477645) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide
PubChem CID61477645
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CNc2ccccc2)s1
InChIInChI=1S/C15H18N2OS/c1-11-8-9-14(19-11)12(2)17-15(18)10-16-13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3,(H,17,18)
InChIKeyJBRWRRZZCDBSED-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 65269980
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2,2-dimethyl-4-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 65300338
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 55098145
2-[(2-anilinoacetyl)amino]propanamide
CID 22166450
(2R)-2-[(2-anilinoacetyl)amino]propanamide
CID 173385485
4-[1-(5-methylthiophen-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 61473130

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide (CID 61477645) is 2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)CNc2ccccc2)s1.
What is the InChIKey of 2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is JBRWRRZZCDBSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-8-9-14(19-11)12(2)17-15(18)10-16-13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide?
2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 274.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 61477645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).