2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide

C14H14ClNOS2 — CID 107024588

IUPAC2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(S)ccc1Cl
InChIInChI=1S/C14H14ClNOS2/c1-2-16(9-11-4-3-7-19-11)14(17)12-8-10(18)5-6-13(12)15/h3-8,18H,2,9H2,1H3
InChIKeyDTSOTDATSDISPH-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.35
Rot. Bonds4

About 2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide

2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 107024588) has the molecular formula C14H14ClNOS2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID107024588
Molecular FormulaC14H14ClNOS2
Molecular Weight311.86 g/mol
Exact Mass311.02
IUPAC Name2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(S)ccc1Cl
InChIInChI=1S/C14H14ClNOS2/c1-2-16(9-11-4-3-7-19-11)14(17)12-8-10(18)5-6-13(12)15/h3-8,18H,2,9H2,1H3
InChIKeyDTSOTDATSDISPH-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.35
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-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
4-chloro-N-ethyl-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 60655635
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389
7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 32582610
N-ethyl-2-fluoro-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79770274
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 32581945
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62660536
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide (CID 107024588) is 2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is DTSOTDATSDISPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS2/c1-2-16(9-11-4-3-7-19-11)14(17)12-8-10(18)5-6-13(12)15/h3-8,18H,2,9H2,1H3.
What are the key properties of 2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 311.86 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 107024588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).