N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide

C14H22BrN3OS — CID 82713834

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CN1CCNC[C@@H]1C
InChIInChI=1S/C14H22BrN3OS/c1-3-17(9-12-4-5-13(15)20-12)14(19)10-18-7-6-16-8-11(18)2/h4-5,11,16H,3,6-10H2,1-2H3/t11-/m0/s1
InChIKeyFSPOKGPYMWWNCM-NSHDSACASA-N
MW360.32 g/mol
LogP2.15
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82713834) has the molecular formula C14H22BrN3OS and a molecular weight of 360.32 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82713834
Molecular FormulaC14H22BrN3OS
Molecular Weight360.32 g/mol
Exact Mass359.07
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CN1CCNC[C@@H]1C
InChIInChI=1S/C14H22BrN3OS/c1-3-17(9-12-4-5-13(15)20-12)14(19)10-18-7-6-16-8-11(18)2/h4-5,11,16H,3,6-10H2,1-2H3/t11-/m0/s1
InChIKeyFSPOKGPYMWWNCM-NSHDSACASA-N
XLogP2.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82713834) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide is CCN(Cc1ccc(Br)s1)C(=O)CN1CCNC[C@@H]1C.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is FSPOKGPYMWWNCM-NSHDSACASA-N. The full InChI is InChI=1S/C14H22BrN3OS/c1-3-17(9-12-4-5-13(15)20-12)14(19)10-18-7-6-16-8-11(18)2/h4-5,11,16H,3,6-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 360.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82713834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).