4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide

C10H14BrClN2OS — CID 80532114

IUPAC4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide
SMILESCC(C)(CC(N)c1cc(Cl)c(Br)s1)C(N)=O
InChIInChI=1S/C10H14BrClN2OS/c1-10(2,9(14)15)4-6(13)7-3-5(12)8(11)16-7/h3,6H,4,13H2,1-2H3,(H2,14,15)
InChIKeyGDHGUUCHDWXALR-UHFFFAOYSA-N
MW325.66 g/mol
LogP3.07
Rot. Bonds4

About 4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide

4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide (PubChem CID 80532114) has the molecular formula C10H14BrClN2OS and a molecular weight of 325.66 g/mol. Its IUPAC name is 4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide
PubChem CID80532114
Molecular FormulaC10H14BrClN2OS
Molecular Weight325.66 g/mol
Exact Mass323.97
IUPAC Name4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide
SMILESCC(C)(CC(N)c1cc(Cl)c(Br)s1)C(N)=O
InChIInChI=1S/C10H14BrClN2OS/c1-10(2,9(14)15)4-6(13)7-3-5(12)8(11)16-7/h3,6H,4,13H2,1-2H3,(H2,14,15)
InChIKeyGDHGUUCHDWXALR-UHFFFAOYSA-N
XLogP3.07
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.66
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
CID 79991570
1-(5-bromo-4-chlorothiophen-2-yl)pentan-1-amine
CID 80531015
4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
CID 65297365
1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine
CID 114752618
ethyl 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanoate
CID 79991140
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide
CID 79736256
methyl 2-[1-[2-amino-2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetate
CID 80532193
1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanamine
CID 80530877
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
ethyl 5-amino-5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethylpentanoate
CID 79991353
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869
1-(5-bromo-4-chlorothiophen-2-yl)-3,4,4-trimethylpentan-1-ol
CID 80532259

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide (CID 80532114) is 4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide is CC(C)(CC(N)c1cc(Cl)c(Br)s1)C(N)=O.
What is the InChIKey of 4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide?
The InChIKey is GDHGUUCHDWXALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2OS/c1-10(2,9(14)15)4-6(13)7-3-5(12)8(11)16-7/h3,6H,4,13H2,1-2H3,(H2,14,15).
What are the key properties of 4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide?
4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide has a molecular weight of 325.66 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 80532114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).