N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

C17H20BrN3OS — CID 71883611

IUPACN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C17H20BrN3OS/c1-21-9-8-19-16(21)23-11-15(22)20-12-17(6-3-7-17)13-4-2-5-14(18)10-13/h2,4-5,8-10H,3,6-7,11-12H2,1H3,(H,20,22)
InChIKeyAQDLOBDGBTUTKT-UHFFFAOYSA-N
MW394.34 g/mol
LogP3.51
Rot. Bonds6

About N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 71883611) has the molecular formula C17H20BrN3OS and a molecular weight of 394.34 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID71883611
Molecular FormulaC17H20BrN3OS
Molecular Weight394.34 g/mol
Exact Mass393.05
IUPAC NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C17H20BrN3OS/c1-21-9-8-19-16(21)23-11-15(22)20-12-17(6-3-7-17)13-4-2-5-14(18)10-13/h2,4-5,8-10H,3,6-7,11-12H2,1H3,(H,20,22)
InChIKeyAQDLOBDGBTUTKT-UHFFFAOYSA-N
XLogP3.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60558311
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
2-(4-aminophenyl)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119744805
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 71888332
5-[[1-(3-bromophenyl)cyclobutyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685220
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744834
N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55975233
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 581967
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119744821

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 71883611) is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NCC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is AQDLOBDGBTUTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3OS/c1-21-9-8-19-16(21)23-11-15(22)20-12-17(6-3-7-17)13-4-2-5-14(18)10-13/h2,4-5,8-10H,3,6-7,11-12H2,1H3,(H,20,22).
What are the key properties of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 394.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 71883611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).