N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide

C15H17BrN2OS — CID 61473952

IUPACN-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
SMILESCC(Cc1ccsc1)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2OS/c1-11(7-12-5-6-20-10-12)17-9-15(19)18-14-4-2-3-13(16)8-14/h2-6,8,10-11,17H,7,9H2,1H3,(H,18,19)
InChIKeyPZOOZIIJIJCPIB-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.67
Rot. Bonds6

About N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide

N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide (PubChem CID 61473952) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
PubChem CID61473952
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
SMILESCC(Cc1ccsc1)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2OS/c1-11(7-12-5-6-20-10-12)17-9-15(19)18-14-4-2-3-13(16)8-14/h2-6,8,10-11,17H,7,9H2,1H3,(H,18,19)
InChIKeyPZOOZIIJIJCPIB-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide
CID 97229162
N-(4-methoxyphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473826
N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054405
N-(5-chloro-2-methylphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61474079
N-(2-methoxyphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473869
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696138
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide
CID 115745368
N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide
CID 97341330
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953236
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide (CID 61473952) is N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide is CC(Cc1ccsc1)NCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide?
The InChIKey is PZOOZIIJIJCPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-11(7-12-5-6-20-10-12)17-9-15(19)18-14-4-2-3-13(16)8-14/h2-6,8,10-11,17H,7,9H2,1H3,(H,18,19).
What are the key properties of N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide?
N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide has a molecular weight of 353.29 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 61473952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).