2-(3-thiophen-3-ylanilino)butanamide

C14H16N2OS — CID 56788857

IUPAC2-(3-thiophen-3-ylanilino)butanamide
SMILESCCC(Nc1cccc(-c2ccsc2)c1)C(N)=O
InChIInChI=1S/C14H16N2OS/c1-2-13(14(15)17)16-12-5-3-4-10(8-12)11-6-7-18-9-11/h3-9,13,16H,2H2,1H3,(H2,15,17)
InChIKeyLYEIWFKUIOGDDZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.09
Rot. Bonds5

About 2-(3-thiophen-3-ylanilino)butanamide

2-(3-thiophen-3-ylanilino)butanamide (PubChem CID 56788857) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(3-thiophen-3-ylanilino)butanamide.

Molecular Properties

Compound Name2-(3-thiophen-3-ylanilino)butanamide
PubChem CID56788857
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(3-thiophen-3-ylanilino)butanamide
SMILESCCC(Nc1cccc(-c2ccsc2)c1)C(N)=O
InChIInChI=1S/C14H16N2OS/c1-2-13(14(15)17)16-12-5-3-4-10(8-12)11-6-7-18-9-11/h3-9,13,16H,2H2,1H3,(H2,15,17)
InChIKeyLYEIWFKUIOGDDZ-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propan-2-ylanilino)butanamide
CID 62900215
methyl 2-(3-thiophen-3-ylphenyl)acetate
CID 141177375
2-(3-bromoanilino)pentanamide
CID 61005208
tert-butyl N-(3-thiophen-3-ylphenyl)carbamate
CID 7176355
2-[3-(dimethylamino)-4-methylanilino]butanamide
CID 113297760
dimethyl (E)-2-(3-thiophen-3-ylanilino)but-2-enedioate
CID 168570222
2-(4-iodoanilino)butanamide
CID 62900403
tert-butyl 4-(3-thiophen-3-ylanilino)butanoate
CID 57155065
methyl 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]propanoate
CID 19917015
3-hydroxy-2-(3-methylanilino)propanamide
CID 104711172
(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
CID 91617003
N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
CID 65099364

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-3-ylanilino)butanamide?
The IUPAC name of 2-(3-thiophen-3-ylanilino)butanamide (CID 56788857) is 2-(3-thiophen-3-ylanilino)butanamide.
What is the SMILES notation for 2-(3-thiophen-3-ylanilino)butanamide?
The canonical SMILES for 2-(3-thiophen-3-ylanilino)butanamide is CCC(Nc1cccc(-c2ccsc2)c1)C(N)=O.
What is the InChIKey of 2-(3-thiophen-3-ylanilino)butanamide?
The InChIKey is LYEIWFKUIOGDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-13(14(15)17)16-12-5-3-4-10(8-12)11-6-7-18-9-11/h3-9,13,16H,2H2,1H3,(H2,15,17).
What are the key properties of 2-(3-thiophen-3-ylanilino)butanamide?
2-(3-thiophen-3-ylanilino)butanamide has a molecular weight of 260.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-3-ylanilino)butanamide is sourced from PubChem (CID 56788857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).