N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide

C16H18ClNOS — CID 114300037

IUPACN-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC(CCl)c1ccccc1
InChIInChI=1S/C16H18ClNOS/c17-12-15(13-6-2-1-3-7-13)18-16(19)10-4-8-14-9-5-11-20-14/h1-3,5-7,9,11,15H,4,8,10,12H2,(H,18,19)
InChIKeyZMKLAAFWPNJRIB-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.17
Rot. Bonds7

About N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide

N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide (PubChem CID 114300037) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide
PubChem CID114300037
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC NameN-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC(CCl)c1ccccc1
InChIInChI=1S/C16H18ClNOS/c17-12-15(13-6-2-1-3-7-13)18-16(19)10-4-8-14-9-5-11-20-14/h1-3,5-7,9,11,15H,4,8,10,12H2,(H,18,19)
InChIKeyZMKLAAFWPNJRIB-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.17
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

N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
(2R)-2-phenyl-2-(6-thiophen-2-ylhexanoylamino)acetic acid
CID 119367978
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
N-(1-chloro-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106354910
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
CID 42886375
4-amino-4-oxo-2-(4-thiophen-2-ylbutanoylamino)butanoic acid
CID 43175940
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide
CID 110306130
3-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119221489
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 43297812

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide (CID 114300037) is N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide?
The InChIKey is ZMKLAAFWPNJRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c17-12-15(13-6-2-1-3-7-13)18-16(19)10-4-8-14-9-5-11-20-14/h1-3,5-7,9,11,15H,4,8,10,12H2,(H,18,19).
What are the key properties of N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide?
N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide has a molecular weight of 307.85 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 114300037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).