N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide

C16H17BrN2O2S — CID 78792232

IUPACN-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C16H17BrN2O2S/c1-11(18-15(20)12-6-4-3-5-7-12)16(21)19(2)10-13-8-9-14(17)22-13/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyIQRKSRDUUNUTDT-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.29
Rot. Bonds5

About N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide

N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 78792232) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID78792232
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC NameN-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C16H17BrN2O2S/c1-11(18-15(20)12-6-4-3-5-7-12)16(21)19(2)10-13-8-9-14(17)22-13/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyIQRKSRDUUNUTDT-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 78792347
N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 30396608
2-benzylsulfanyl-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 55773778
N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55935786
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-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55826474
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide (CID 78792232) is N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(Br)s1.
What is the InChIKey of N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is IQRKSRDUUNUTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c1-11(18-15(20)12-6-4-3-5-7-12)16(21)19(2)10-13-8-9-14(17)22-13/h3-9,11H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide?
N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 381.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 78792232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).