5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide

C11H16ClNOS — CID 81408351

IUPAC5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
SMILESC[C@@H](NC(=O)CCCCCl)c1cccs1
InChIInChI=1S/C11H16ClNOS/c1-9(10-5-4-8-15-10)13-11(14)6-2-3-7-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyLZADUUDMDQHENY-SECBINFHSA-N
MW245.77 g/mol
LogP3.33
Rot. Bonds6

About 5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide

5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide (PubChem CID 81408351) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
PubChem CID81408351
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
SMILESC[C@@H](NC(=O)CCCCCl)c1cccs1
InChIInChI=1S/C11H16ClNOS/c1-9(10-5-4-8-15-10)13-11(14)6-2-3-7-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyLZADUUDMDQHENY-SECBINFHSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382
4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
CID 112766186
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
tert-butyl 4-oxo-4-(1-thiophen-2-ylethylamino)butanoate
CID 106707023
3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408603

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide?
The IUPAC name of 5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide (CID 81408351) is 5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide is C[C@@H](NC(=O)CCCCCl)c1cccs1.
What is the InChIKey of 5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide?
The InChIKey is LZADUUDMDQHENY-SECBINFHSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-9(10-5-4-8-15-10)13-11(14)6-2-3-7-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide?
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide 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 5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide is sourced from PubChem (CID 81408351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).