5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide

C14H19ClN2OS — CID 107298119

IUPAC5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCC1CCSC1
InChIInChI=1S/C14H19ClN2OS/c1-2-16-13-4-3-11(15)7-12(13)14(18)17-8-10-5-6-19-9-10/h3-4,7,10,16H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyNMIPZFLCFZVPIP-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide

5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide (PubChem CID 107298119) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide
PubChem CID107298119
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCC1CCSC1
InChIInChI=1S/C14H19ClN2OS/c1-2-16-13-4-3-11(15)7-12(13)14(18)17-8-10-5-6-19-9-10/h3-4,7,10,16H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyNMIPZFLCFZVPIP-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide
CID 63500607
4-(ethylamino)-3-nitro-N-(thiolan-3-ylmethyl)benzamide
CID 107298199
5-chloro-N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)benzamide
CID 63995007
5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 103529940
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
CID 62978216
2-fluoro-5-sulfanyl-N-(thiolan-3-ylmethyl)benzamide
CID 107298606
5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide
CID 103529934
3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298173
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)benzamide
CID 62178349

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide (CID 107298119) is 5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide is CCNc1ccc(Cl)cc1C(=O)NCC1CCSC1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide?
The InChIKey is NMIPZFLCFZVPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-2-16-13-4-3-11(15)7-12(13)14(18)17-8-10-5-6-19-9-10/h3-4,7,10,16H,2,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide?
5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide has a molecular weight of 298.84 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide is sourced from PubChem (CID 107298119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).