5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide

C12H18ClNOS — CID 61473652

IUPAC5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
SMILESCC(Cc1ccsc1)NC(=O)CCCCCl
InChIInChI=1S/C12H18ClNOS/c1-10(8-11-5-7-16-9-11)14-12(15)4-2-3-6-13/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,15)
InChIKeyCQVOVAMQOCKCJN-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.20
Rot. Bonds7

About 5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide

5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide (PubChem CID 61473652) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
PubChem CID61473652
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
SMILESCC(Cc1ccsc1)NC(=O)CCCCCl
InChIInChI=1S/C12H18ClNOS/c1-10(8-11-5-7-16-9-11)14-12(15)4-2-3-6-13/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,15)
InChIKeyCQVOVAMQOCKCJN-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
3,3-dimethyl-5-oxo-5-(1-thiophen-3-ylpropan-2-ylamino)pentanoic acid
CID 62934254
2-(4-aminophenoxy)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 61471803
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide?
The IUPAC name of 5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide (CID 61473652) is 5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide is CC(Cc1ccsc1)NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide?
The InChIKey is CQVOVAMQOCKCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-10(8-11-5-7-16-9-11)14-12(15)4-2-3-6-13/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,15).
What are the key properties of 5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide?
5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide has a molecular weight of 259.80 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 61473652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).