N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide

C12H18N2O2S — CID 3078777

IUPACN-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide
SMILESCCCCN(C(C)=O)c1ccsc1NC(C)=O
InChIInChI=1S/C12H18N2O2S/c1-4-5-7-14(10(3)16)11-6-8-17-12(11)13-9(2)15/h6,8H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyMEYIDFHICPQESD-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.86
Rot. Bonds5

About N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide

N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide (PubChem CID 3078777) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide
PubChem CID3078777
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide
SMILESCCCCN(C(C)=O)c1ccsc1NC(C)=O
InChIInChI=1S/C12H18N2O2S/c1-4-5-7-14(10(3)16)11-6-8-17-12(11)13-9(2)15/h6,8H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyMEYIDFHICPQESD-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide?
The IUPAC name of N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide (CID 3078777) is N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide?
The canonical SMILES for N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide is CCCCN(C(C)=O)c1ccsc1NC(C)=O.
What is the InChIKey of N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide?
The InChIKey is MEYIDFHICPQESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-4-5-7-14(10(3)16)11-6-8-17-12(11)13-9(2)15/h6,8H,4-5,7H2,1-3H3,(H,13,15).
What are the key properties of N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide?
N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide has a molecular weight of 254.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide is sourced from PubChem (CID 3078777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).