N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide

C17H22N2OS — CID 119529430

IUPACN-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(N)c2ccccc2)s1
InChIInChI=1S/C17H22N2OS/c1-13-10-11-15(21-13)8-5-9-17(20)19-12-16(18)14-6-3-2-4-7-14/h2-4,6-7,10-11,16H,5,8-9,12,18H2,1H3,(H,19,20)
InChIKeyNTZWBDWNXRTTPN-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.20
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide

N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide (PubChem CID 119529430) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
PubChem CID119529430
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(N)c2ccccc2)s1
InChIInChI=1S/C17H22N2OS/c1-13-10-11-15(21-13)8-5-9-17(20)19-12-16(18)14-6-3-2-4-7-14/h2-4,6-7,10-11,16H,5,8-9,12,18H2,1H3,(H,19,20)
InChIKeyNTZWBDWNXRTTPN-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
CID 119529711
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide
CID 119527817
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119525724
N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
CID 119527853
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
CID 119433722
(2-amino-2-phenylethyl)carbamic acid
CID 66941802

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide (CID 119529430) is N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide is Cc1ccc(CCCC(=O)NCC(N)c2ccccc2)s1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide?
The InChIKey is NTZWBDWNXRTTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-10-11-15(21-13)8-5-9-17(20)19-12-16(18)14-6-3-2-4-7-14/h2-4,6-7,10-11,16H,5,8-9,12,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide?
N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide has a molecular weight of 302.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide is sourced from PubChem (CID 119529430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).