2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide

C16H22BrNOS — CID 107032458

IUPAC2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
SMILESCC(C)CN(C(=O)c1cc(S)ccc1Br)C1CCCC1
InChIInChI=1S/C16H22BrNOS/c1-11(2)10-18(12-5-3-4-6-12)16(19)14-9-13(20)7-8-15(14)17/h7-9,11-12,20H,3-6,10H2,1-2H3
InChIKeyBTLYDTOWQSGNOU-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.78
Rot. Bonds4

About 2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide

2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide (PubChem CID 107032458) has the molecular formula C16H22BrNOS and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
PubChem CID107032458
Molecular FormulaC16H22BrNOS
Molecular Weight356.33 g/mol
Exact Mass355.06
IUPAC Name2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
SMILESCC(C)CN(C(=O)c1cc(S)ccc1Br)C1CCCC1
InChIInChI=1S/C16H22BrNOS/c1-11(2)10-18(12-5-3-4-6-12)16(19)14-9-13(20)7-8-15(14)17/h7-9,11-12,20H,3-6,10H2,1-2H3
InChIKeyBTLYDTOWQSGNOU-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide
CID 107020962
4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65370250
N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107032474
2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide
CID 107024073
4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 112725824
2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide
CID 107402633
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
5-chloro-N-cyclopentyl-2-hydroxy-N-(2-methylpropyl)benzamide
CID 112725805
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107026530
5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
CID 112725800
5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746
2-bromo-N-(4-ethylcyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107024800

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide?
The IUPAC name of 2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide (CID 107032458) is 2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide is CC(C)CN(C(=O)c1cc(S)ccc1Br)C1CCCC1.
What is the InChIKey of 2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide?
The InChIKey is BTLYDTOWQSGNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNOS/c1-11(2)10-18(12-5-3-4-6-12)16(19)14-9-13(20)7-8-15(14)17/h7-9,11-12,20H,3-6,10H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide?
2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide has a molecular weight of 356.33 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107032458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).