N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride

C18H25ClN2OS — CID 119529711

IUPACN-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
SMILESCc1cc(CCCC(=O)NCC(N)c2ccccc2)c(C)s1.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-13-11-16(14(2)22-13)9-6-10-18(21)20-12-17(19)15-7-4-3-5-8-15;/h3-5,7-8,11,17H,6,9-10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyDRKLQCDSDLFDEE-UHFFFAOYSA-N
MW352.93 g/mol
LogP3.93
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride

N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride (PubChem CID 119529711) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
PubChem CID119529711
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC NameN-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
SMILESCc1cc(CCCC(=O)NCC(N)c2ccccc2)c(C)s1.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-13-11-16(14(2)22-13)9-6-10-18(21)20-12-17(19)15-7-4-3-5-8-15;/h3-5,7-8,11,17H,6,9-10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyDRKLQCDSDLFDEE-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
CID 119529430
N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 119499768
4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120652846
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-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731
N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
CID 119527853
4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
CID 111970464
N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 119527916
(2S)-2-[[2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695178
(2S)-2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]-3-methylbutanoic acid
CID 119359559

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride (CID 119529711) is N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride is Cc1cc(CCCC(=O)NCC(N)c2ccccc2)c(C)s1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride?
The InChIKey is DRKLQCDSDLFDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS.ClH/c1-13-11-16(14(2)22-13)9-6-10-18(21)20-12-17(19)15-7-4-3-5-8-15;/h3-5,7-8,11,17H,6,9-10,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 3.93, 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-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 119529711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).