[4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate

C14H20BrNO2S — CID 151876643

IUPAC[4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate
SMILESCCSc1ccc(Br)cc1CCC(C)(C)OC(N)=O
InChIInChI=1S/C14H20BrNO2S/c1-4-19-12-6-5-11(15)9-10(12)7-8-14(2,3)18-13(16)17/h5-6,9H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeySNVABBXBNAEALL-UHFFFAOYSA-N
MW346.29 g/mol
LogP4.37
Rot. Bonds6

About [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate

[4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate (PubChem CID 151876643) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate
PubChem CID151876643
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name[4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate
SMILESCCSc1ccc(Br)cc1CCC(C)(C)OC(N)=O
InChIInChI=1S/C14H20BrNO2S/c1-4-19-12-6-5-11(15)9-10(12)7-8-14(2,3)18-13(16)17/h5-6,9H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeySNVABBXBNAEALL-UHFFFAOYSA-N
XLogP4.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
CID 151939532
(5-bromo-2-ethylsulfanylphenyl)methylcarbamic acid
CID 122552875
[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461
[5-(4-bromo-N-ethylanilino)-2-methyl-5-oxopentan-2-yl] carbamate
CID 174614423
1-(4-bromo-2-ethylsulfanylphenyl)ethanone
CID 82972458
[(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate
CID 174673615
(4-bromo-2-ethylsulfanylphenyl)methanamine
CID 63805186
2,5-dimethylheptan-2-yl carbamate
CID 123535810
[4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate
CID 151477380
(2-methyl-5-phenylhexan-2-yl) carbamate
CID 174566123
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenyl]sulfanylacetamide
CID 114231437
ethyl 3-(4-bromo-2-ethylsulfanylphenyl)-3-oxopropanoate
CID 168890072

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate?
The IUPAC name of [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate (CID 151876643) is [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate.
What is the SMILES notation for [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate?
The canonical SMILES for [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate is CCSc1ccc(Br)cc1CCC(C)(C)OC(N)=O.
What is the InChIKey of [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate?
The InChIKey is SNVABBXBNAEALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-4-19-12-6-5-11(15)9-10(12)7-8-14(2,3)18-13(16)17/h5-6,9H,4,7-8H2,1-3H3,(H2,16,17).
What are the key properties of [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate?
[4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate has a molecular weight of 346.29 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate is sourced from PubChem (CID 151876643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).