2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide

C15H22ClNO2S — CID 107026543

IUPAC2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(S)ccc1Cl
InChIInChI=1S/C15H22ClNO2S/c1-4-11(5-2)17(8-9-19-3)15(18)13-10-12(20)6-7-14(13)16/h6-7,10-11,20H,4-5,8-9H2,1-3H3
InChIKeyLMJMIWSWLDDERB-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.91
Rot. Bonds7

About 2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide

2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide (PubChem CID 107026543) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
PubChem CID107026543
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(S)ccc1Cl
InChIInChI=1S/C15H22ClNO2S/c1-4-11(5-2)17(8-9-19-3)15(18)13-10-12(20)6-7-14(13)16/h6-7,10-11,20H,4-5,8-9H2,1-3H3
InChIKeyLMJMIWSWLDDERB-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 55795933
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619
2-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-sulfanylbenzamide
CID 107029635
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 82942854
2,5-dichloro-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 63395991
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 62243860
2-chloro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide (CID 107026543) is 2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide is CCC(CC)N(CCOC)C(=O)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide?
The InChIKey is LMJMIWSWLDDERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-4-11(5-2)17(8-9-19-3)15(18)13-10-12(20)6-7-14(13)16/h6-7,10-11,20H,4-5,8-9H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide?
2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide has a molecular weight of 315.87 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide is sourced from PubChem (CID 107026543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).