N-thiophen-3-ylbutanamide

C8H11NOS — CID 57133126

IUPACN-thiophen-3-ylbutanamide
SMILESCCCC(=O)Nc1ccsc1
InChIInChI=1S/C8H11NOS/c1-2-3-8(10)9-7-4-5-11-6-7/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyQXSODFCIMMPBMP-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.49
Rot. Bonds3

About N-thiophen-3-ylbutanamide

N-thiophen-3-ylbutanamide (PubChem CID 57133126) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N-thiophen-3-ylbutanamide.

Molecular Properties

Compound NameN-thiophen-3-ylbutanamide
PubChem CID57133126
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN-thiophen-3-ylbutanamide
SMILESCCCC(=O)Nc1ccsc1
InChIInChI=1S/C8H11NOS/c1-2-3-8(10)9-7-4-5-11-6-7/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyQXSODFCIMMPBMP-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

thiophen-3-amine;N-thiophen-3-ylpentanamide
CID 158253806
4-chloro-N-thiophen-3-ylbutanamide
CID 66352814
6-oxo-6-(thiophen-3-ylamino)hexanoic acid
CID 66350156
3-(tert-butylamino)-N-thiophen-3-ylpropanamide
CID 66351972
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
2-(diethylsulfamoyl)-N-thiophen-3-ylacetamide
CID 71984168
2-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylacetamide
CID 112605491
N-propyl-2-(thiophen-3-ylamino)acetamide
CID 66351485
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid
CID 104570094
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374

Frequently Asked Questions

What is the IUPAC name of N-thiophen-3-ylbutanamide?
The IUPAC name of N-thiophen-3-ylbutanamide (CID 57133126) is N-thiophen-3-ylbutanamide.
What is the SMILES notation for N-thiophen-3-ylbutanamide?
The canonical SMILES for N-thiophen-3-ylbutanamide is CCCC(=O)Nc1ccsc1.
What is the InChIKey of N-thiophen-3-ylbutanamide?
The InChIKey is QXSODFCIMMPBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-2-3-8(10)9-7-4-5-11-6-7/h4-6H,2-3H2,1H3,(H,9,10).
What are the key properties of N-thiophen-3-ylbutanamide?
N-thiophen-3-ylbutanamide has a molecular weight of 169.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-3-ylbutanamide is sourced from PubChem (CID 57133126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).