4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide

C16H19ClN2OS — CID 63324335

IUPAC4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
SMILESCC(NC(=O)CCC(N)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C16H19ClN2OS/c1-11(14-8-9-15(17)21-14)19-16(20)10-7-13(18)12-5-3-2-4-6-12/h2-6,8-9,11,13H,7,10,18H2,1H3,(H,19,20)
InChIKeyKZJZYMINDHSVCH-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.06
Rot. Bonds6

About 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide

4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide (PubChem CID 63324335) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
PubChem CID63324335
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
SMILESCC(NC(=O)CCC(N)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C16H19ClN2OS/c1-11(14-8-9-15(17)21-14)19-16(20)10-7-13(18)12-5-3-2-4-6-12/h2-6,8-9,11,13H,7,10,18H2,1H3,(H,19,20)
InChIKeyKZJZYMINDHSVCH-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
CID 63324031
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726837
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726838
4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 63842319
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate
CID 62111155
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide
CID 62488935
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide (CID 63324335) is 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide is CC(NC(=O)CCC(N)c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide?
The InChIKey is KZJZYMINDHSVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-11(14-8-9-15(17)21-14)19-16(20)10-7-13(18)12-5-3-2-4-6-12/h2-6,8-9,11,13H,7,10,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide?
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide has a molecular weight of 322.86 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 63324335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).