4-chloro-N-(1-thiophen-2-ylpropyl)butanamide

C11H16ClNOS — CID 63308382

IUPAC4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
SMILESCCC(NC(=O)CCCCl)c1cccs1
InChIInChI=1S/C11H16ClNOS/c1-2-9(10-5-4-8-15-10)13-11(14)6-3-7-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyZJXSZBYEJZPQJA-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.33
Rot. Bonds6

About 4-chloro-N-(1-thiophen-2-ylpropyl)butanamide

4-chloro-N-(1-thiophen-2-ylpropyl)butanamide (PubChem CID 63308382) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 4-chloro-N-(1-thiophen-2-ylpropyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
PubChem CID63308382
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
SMILESCCC(NC(=O)CCCCl)c1cccs1
InChIInChI=1S/C11H16ClNOS/c1-2-9(10-5-4-8-15-10)13-11(14)6-3-7-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyZJXSZBYEJZPQJA-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
CID 54964033
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
3-(butanoylamino)-3-thiophen-2-ylpropanoic acid
CID 60750131
3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide
CID 81086681
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
3-(5-hydroxypentanoylamino)-3-thiophen-2-ylpropanoic acid
CID 79198684
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
methyl 3-[4-(methylamino)butanoylamino]-3-thiophen-2-ylpropanoate
CID 54925162
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-thiophen-2-ylpropyl)butanamide?
The IUPAC name of 4-chloro-N-(1-thiophen-2-ylpropyl)butanamide (CID 63308382) is 4-chloro-N-(1-thiophen-2-ylpropyl)butanamide.
What is the SMILES notation for 4-chloro-N-(1-thiophen-2-ylpropyl)butanamide?
The canonical SMILES for 4-chloro-N-(1-thiophen-2-ylpropyl)butanamide is CCC(NC(=O)CCCCl)c1cccs1.
What is the InChIKey of 4-chloro-N-(1-thiophen-2-ylpropyl)butanamide?
The InChIKey is ZJXSZBYEJZPQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-2-9(10-5-4-8-15-10)13-11(14)6-3-7-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 4-chloro-N-(1-thiophen-2-ylpropyl)butanamide?
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide has a molecular weight of 245.77 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-thiophen-2-ylpropyl)butanamide is sourced from PubChem (CID 63308382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).