N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide

C14H15ClN2OS — CID 82862241

IUPACN-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
SMILESNc1ccc(NC(=O)CCCc2cccs2)cc1Cl
InChIInChI=1S/C14H15ClN2OS/c15-12-9-10(6-7-13(12)16)17-14(18)5-1-3-11-4-2-8-19-11/h2,4,6-9H,1,3,5,16H2,(H,17,18)
InChIKeyRGKKXIWNKVJSOA-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.95
Rot. Bonds5

About N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide

N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide (PubChem CID 82862241) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
PubChem CID82862241
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
SMILESNc1ccc(NC(=O)CCCc2cccs2)cc1Cl
InChIInChI=1S/C14H15ClN2OS/c15-12-9-10(6-7-13(12)16)17-14(18)5-1-3-11-4-2-8-19-11/h2,4,6-9H,1,3,5,16H2,(H,17,18)
InChIKeyRGKKXIWNKVJSOA-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 131916019
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide
CID 16552293
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide
CID 167851976
N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
CID 47044022
N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
CID 124607454
N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
CID 124607455
3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 82034683
N-(5-amino-4-methyl-2-pyridinyl)-4-thiophen-2-ylbutanamide
CID 61293337

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide (CID 82862241) is N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide is Nc1ccc(NC(=O)CCCc2cccs2)cc1Cl.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide?
The InChIKey is RGKKXIWNKVJSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c15-12-9-10(6-7-13(12)16)17-14(18)5-1-3-11-4-2-8-19-11/h2,4,6-9H,1,3,5,16H2,(H,17,18).
What are the key properties of N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide?
N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide has a molecular weight of 294.81 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 82862241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).