2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide

C14H18BrNOS — CID 75512145

IUPAC2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCSCC(C)NC(=O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNOS/c1-9(8-18-2)16-14(17)13-7-12(13)10-3-5-11(15)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)
InChIKeyLNPZVBLYJTXYNO-UHFFFAOYSA-N
MW328.28 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide

2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 75512145) has the molecular formula C14H18BrNOS and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide
PubChem CID75512145
Molecular FormulaC14H18BrNOS
Molecular Weight328.28 g/mol
Exact Mass327.03
IUPAC Name2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCSCC(C)NC(=O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNOS/c1-9(8-18-2)16-14(17)13-7-12(13)10-3-5-11(15)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)
InChIKeyLNPZVBLYJTXYNO-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide (CID 75512145) is 2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide is CSCC(C)NC(=O)C1CC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is LNPZVBLYJTXYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS/c1-9(8-18-2)16-14(17)13-7-12(13)10-3-5-11(15)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide?
2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 328.28 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 75512145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).