N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride

C18H25ClN2OS — CID 119527260

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
SMILESCCc1ccsc1C(=O)NCC(N)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-4-13-9-10-22-17(13)18(21)20-11-16(19)15-7-5-14(6-8-15)12(2)3;/h5-10,12,16H,4,11,19H2,1-3H3,(H,20,21);1H
InChIKeyUJCSWKGQFVYVLY-UHFFFAOYSA-N
MW352.93 g/mol
LogP4.29
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride (PubChem CID 119527260) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
PubChem CID119527260
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
SMILESCCc1ccsc1C(=O)NCC(N)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-4-13-9-10-22-17(13)18(21)20-11-16(19)15-7-5-14(6-8-15)12(2)3;/h5-10,12,16H,4,11,19H2,1-3H3,(H,20,21);1H
InChIKeyUJCSWKGQFVYVLY-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119527319
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119526028
N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
CID 80506631
3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 66107939
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65217931
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 113237947
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119525724
2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474524

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride (CID 119527260) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride is CCc1ccsc1C(=O)NCC(N)c1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride?
The InChIKey is UJCSWKGQFVYVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS.ClH/c1-4-13-9-10-22-17(13)18(21)20-11-16(19)15-7-5-14(6-8-15)12(2)3;/h5-10,12,16H,4,11,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119527260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).