3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide

C14H18N4O2S — CID 115668650

IUPAC3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCCc1ncc[nH]1)c1cccs1
InChIInChI=1S/C14H18N4O2S/c1-10(19)18-11(12-3-2-8-21-12)9-14(20)17-5-4-13-15-6-7-16-13/h2-3,6-8,11H,4-5,9H2,1H3,(H,15,16)(H,17,20)(H,18,19)
InChIKeyJAKGUTFXTCCVPW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.40
Rot. Bonds7

About 3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 115668650) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID115668650
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCCc1ncc[nH]1)c1cccs1
InChIInChI=1S/C14H18N4O2S/c1-10(19)18-11(12-3-2-8-21-12)9-14(20)17-5-4-13-15-6-7-16-13/h2-3,6-8,11H,4-5,9H2,1H3,(H,15,16)(H,17,20)(H,18,19)
InChIKeyJAKGUTFXTCCVPW-UHFFFAOYSA-N
XLogP1.40
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
CID 103919297
3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
CID 107300399
(2S)-4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-hydroxybutanoic acid
CID 107833913
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 115668385
(3R)-3-acetamido-N-(isoquinolin-1-ylmethyl)-3-thiophen-2-ylpropanamide
CID 26072257
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide (CID 115668650) is 3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NCCc1ncc[nH]1)c1cccs1.
What is the InChIKey of 3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is JAKGUTFXTCCVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(19)18-11(12-3-2-8-21-12)9-14(20)17-5-4-13-15-6-7-16-13/h2-3,6-8,11H,4-5,9H2,1H3,(H,15,16)(H,17,20)(H,18,19).
What are the key properties of 3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 306.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 115668650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).