N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide

C15H17BrN2OS — CID 61474369

IUPACN-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
SMILESCc1ccc(C(C)NCC(=O)Nc2ccccc2Br)s1
InChIInChI=1S/C15H17BrN2OS/c1-10-7-8-14(20-10)11(2)17-9-15(19)18-13-6-4-3-5-12(13)16/h3-8,11,17H,9H2,1-2H3,(H,18,19)
InChIKeyPUZZMPVATFOIJN-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.11
Rot. Bonds5

About N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide

N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide (PubChem CID 61474369) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
PubChem CID61474369
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
SMILESCc1ccc(C(C)NCC(=O)Nc2ccccc2Br)s1
InChIInChI=1S/C15H17BrN2OS/c1-10-7-8-14(20-10)11(2)17-9-15(19)18-13-6-4-3-5-12(13)16/h3-8,11,17H,9H2,1-2H3,(H,18,19)
InChIKeyPUZZMPVATFOIJN-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086074
N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401788
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]propanoate
CID 60691142
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]butanamide
CID 115572702
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254240
2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962058
N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
CID 55050254
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide
CID 112797136
2-(2-bromoanilino)-2-(5-methylthiophen-2-yl)acetamide
CID 61347550
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
CID 60999476
3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 55098145

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide (CID 61474369) is N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide is Cc1ccc(C(C)NCC(=O)Nc2ccccc2Br)s1.
What is the InChIKey of N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide?
The InChIKey is PUZZMPVATFOIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-10-7-8-14(20-10)11(2)17-9-15(19)18-13-6-4-3-5-12(13)16/h3-8,11,17H,9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide?
N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide has a molecular weight of 353.29 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide is sourced from PubChem (CID 61474369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).