2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide

C14H18BrNOS — CID 107402633

IUPAC2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide
SMILESCCN(CC1CCC1)C(=O)c1cc(S)ccc1Br
InChIInChI=1S/C14H18BrNOS/c1-2-16(9-10-4-3-5-10)14(17)12-8-11(18)6-7-13(12)15/h6-8,10,18H,2-5,9H2,1H3
InChIKeyWYKSNIMRTLKFMX-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.00
Rot. Bonds4

About 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide

2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide (PubChem CID 107402633) has the molecular formula C14H18BrNOS and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide
PubChem CID107402633
Molecular FormulaC14H18BrNOS
Molecular Weight328.28 g/mol
Exact Mass327.03
IUPAC Name2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide
SMILESCCN(CC1CCC1)C(=O)c1cc(S)ccc1Br
InChIInChI=1S/C14H18BrNOS/c1-2-16(9-10-4-3-5-10)14(17)12-8-11(18)6-7-13(12)15/h6-8,10,18H,2-5,9H2,1H3
InChIKeyWYKSNIMRTLKFMX-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide 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

5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879
2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide
CID 107020962
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831
2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide
CID 107024073
2-bromo-N-(4-ethylcyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107024800
2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107032458
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide
CID 107030501
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107399082
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide?
The IUPAC name of 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide (CID 107402633) is 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide.
What is the SMILES notation for 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide?
The canonical SMILES for 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide is CCN(CC1CCC1)C(=O)c1cc(S)ccc1Br.
What is the InChIKey of 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide?
The InChIKey is WYKSNIMRTLKFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS/c1-2-16(9-10-4-3-5-10)14(17)12-8-11(18)6-7-13(12)15/h6-8,10,18H,2-5,9H2,1H3.
What are the key properties of 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide?
2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide has a molecular weight of 328.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide is sourced from PubChem (CID 107402633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).