4-chloro-N-thiophen-3-ylbutanamide

C8H10ClNOS — CID 66352814

IUPAC4-chloro-N-thiophen-3-ylbutanamide
SMILESO=C(CCCCl)Nc1ccsc1
InChIInChI=1S/C8H10ClNOS/c9-4-1-2-8(11)10-7-3-5-12-6-7/h3,5-6H,1-2,4H2,(H,10,11)
InChIKeyDZWVSWMSMQZMIL-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-N-thiophen-3-ylbutanamide

4-chloro-N-thiophen-3-ylbutanamide (PubChem CID 66352814) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 4-chloro-N-thiophen-3-ylbutanamide.

Molecular Properties

Compound Name4-chloro-N-thiophen-3-ylbutanamide
PubChem CID66352814
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name4-chloro-N-thiophen-3-ylbutanamide
SMILESO=C(CCCCl)Nc1ccsc1
InChIInChI=1S/C8H10ClNOS/c9-4-1-2-8(11)10-7-3-5-12-6-7/h3,5-6H,1-2,4H2,(H,10,11)
InChIKeyDZWVSWMSMQZMIL-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-thiophen-3-ylbutanamide?
The IUPAC name of 4-chloro-N-thiophen-3-ylbutanamide (CID 66352814) is 4-chloro-N-thiophen-3-ylbutanamide.
What is the SMILES notation for 4-chloro-N-thiophen-3-ylbutanamide?
The canonical SMILES for 4-chloro-N-thiophen-3-ylbutanamide is O=C(CCCCl)Nc1ccsc1.
What is the InChIKey of 4-chloro-N-thiophen-3-ylbutanamide?
The InChIKey is DZWVSWMSMQZMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c9-4-1-2-8(11)10-7-3-5-12-6-7/h3,5-6H,1-2,4H2,(H,10,11).
What are the key properties of 4-chloro-N-thiophen-3-ylbutanamide?
4-chloro-N-thiophen-3-ylbutanamide has a molecular weight of 203.69 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-thiophen-3-ylbutanamide is sourced from PubChem (CID 66352814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).