3-(thiophene-2-carbonylamino)propyl acetate

C10H13NO3S — CID 84560045

IUPAC3-(thiophene-2-carbonylamino)propyl acetate
SMILESCC(=O)OCCCNC(=O)c1cccs1
InChIInChI=1S/C10H13NO3S/c1-8(12)14-6-3-5-11-10(13)9-4-2-7-15-9/h2,4,7H,3,5-6H2,1H3,(H,11,13)
InChIKeyYQFXYVOXQBDYRN-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.43
Rot. Bonds5

About 3-(thiophene-2-carbonylamino)propyl acetate

3-(thiophene-2-carbonylamino)propyl acetate (PubChem CID 84560045) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(thiophene-2-carbonylamino)propyl acetate.

Molecular Properties

Compound Name3-(thiophene-2-carbonylamino)propyl acetate
PubChem CID84560045
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-(thiophene-2-carbonylamino)propyl acetate
SMILESCC(=O)OCCCNC(=O)c1cccs1
InChIInChI=1S/C10H13NO3S/c1-8(12)14-6-3-5-11-10(13)9-4-2-7-15-9/h2,4,7H,3,5-6H2,1H3,(H,11,13)
InChIKeyYQFXYVOXQBDYRN-UHFFFAOYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
3-(thiophene-2-carbonylamino)propyl 4-chlorobenzoate
CID 84558990
butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
CID 82354226
3-(thiophene-2-carbonylamino)propyl 2-(4-ethoxyphenoxy)acetate
CID 84559948
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
CID 15231495
3-(thiophene-2-carbonylamino)propyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 84558628
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-(3-pyridin-2-yloxypropyl)thiophene-2-carboxamide
CID 19079216
3-(thiophene-2-carbonylamino)propyl 3-cyanobenzoate
CID 84562559

Frequently Asked Questions

What is the IUPAC name of 3-(thiophene-2-carbonylamino)propyl acetate?
The IUPAC name of 3-(thiophene-2-carbonylamino)propyl acetate (CID 84560045) is 3-(thiophene-2-carbonylamino)propyl acetate.
What is the SMILES notation for 3-(thiophene-2-carbonylamino)propyl acetate?
The canonical SMILES for 3-(thiophene-2-carbonylamino)propyl acetate is CC(=O)OCCCNC(=O)c1cccs1.
What is the InChIKey of 3-(thiophene-2-carbonylamino)propyl acetate?
The InChIKey is YQFXYVOXQBDYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8(12)14-6-3-5-11-10(13)9-4-2-7-15-9/h2,4,7H,3,5-6H2,1H3,(H,11,13).
What are the key properties of 3-(thiophene-2-carbonylamino)propyl acetate?
3-(thiophene-2-carbonylamino)propyl acetate has a molecular weight of 227.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophene-2-carbonylamino)propyl acetate is sourced from PubChem (CID 84560045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).