N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C14H21BrN2O2S — CID 30396608

IUPACN-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)C)C(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C14H21BrN2O2S/c1-9(16-13(19)14(2,3)4)12(18)17(5)8-10-6-7-11(15)20-10/h6-7,9H,8H2,1-5H3,(H,16,19)/t9-/m0/s1
InChIKeyVIOLEPSALBCPGN-VIFPVBQESA-N
MW361.31 g/mol
LogP3.02
Rot. Bonds4

About N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 30396608) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID30396608
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC NameN-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)C)C(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C14H21BrN2O2S/c1-9(16-13(19)14(2,3)4)12(18)17(5)8-10-6-7-11(15)20-10/h6-7,9H,8H2,1-5H3,(H,16,19)/t9-/m0/s1
InChIKeyVIOLEPSALBCPGN-VIFPVBQESA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 78792232
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
CID 115156082
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 115154691
2-benzylsulfanyl-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 55773778
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119688940
N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
CID 24547346
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 30396608) is N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)Cc1ccc(Br)s1.
What is the InChIKey of N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is VIOLEPSALBCPGN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-9(16-13(19)14(2,3)4)12(18)17(5)8-10-6-7-11(15)20-10/h6-7,9H,8H2,1-5H3,(H,16,19)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 361.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 30396608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).