3-acetamido-N-thiophen-2-ylpropanamide

C9H12N2O2S — CID 139591621

IUPAC3-acetamido-N-thiophen-2-ylpropanamide
SMILESCC(=O)NCCC(=O)Nc1cccs1
InChIInChI=1S/C9H12N2O2S/c1-7(12)10-5-4-8(13)11-9-3-2-6-14-9/h2-3,6H,4-5H2,1H3,(H,10,12)(H,11,13)
InChIKeyUJPOOQANUYFCRO-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.21
Rot. Bonds4

About 3-acetamido-N-thiophen-2-ylpropanamide

3-acetamido-N-thiophen-2-ylpropanamide (PubChem CID 139591621) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-acetamido-N-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-thiophen-2-ylpropanamide
PubChem CID139591621
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-acetamido-N-thiophen-2-ylpropanamide
SMILESCC(=O)NCCC(=O)Nc1cccs1
InChIInChI=1S/C9H12N2O2S/c1-7(12)10-5-4-8(13)11-9-3-2-6-14-9/h2-3,6H,4-5H2,1H3,(H,10,12)(H,11,13)
InChIKeyUJPOOQANUYFCRO-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Acetamido)thiophene
CID 83087
N-(5-acetamidothiophen-2-yl)acetamide
CID 785593
1-Isopropyl-3-(thiophen-2-yl)urea
CID 3245119
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-butyl-
CID 3078777
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-(2-(dimethylamino)ethyl)-, monohydrochloride
CID 3078787
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-(3-(dimethylamino)propyl)-, monohydrochloride
CID 3078789
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-(2-(diethylamino)ethyl)-, monohydrochloride
CID 3078791
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-(3-(diethylamino)propyl)-, monohydrochloride
CID 3078793
(S)-1-methyl-4-[3-(2-thienyl)ureido]-2-pyrrolidinone
CID 95985113
Thienylaminobutane
CID 12181159
3-(Thiophen-2-ylamino)propanoic acid
CID 268925
Acetamide, N-[5-(ethylthio)-2-thienyl]-
CID 4167880

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-thiophen-2-ylpropanamide (CID 139591621) is 3-acetamido-N-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-thiophen-2-ylpropanamide is CC(=O)NCCC(=O)Nc1cccs1.
What is the InChIKey of 3-acetamido-N-thiophen-2-ylpropanamide?
The InChIKey is UJPOOQANUYFCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-7(12)10-5-4-8(13)11-9-3-2-6-14-9/h2-3,6H,4-5H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 3-acetamido-N-thiophen-2-ylpropanamide?
3-acetamido-N-thiophen-2-ylpropanamide has a molecular weight of 212.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-thiophen-2-ylpropanamide is sourced from PubChem (CID 139591621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).