5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide

C14H21ClN2OS — CID 120652149

IUPAC5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(Cl)ccc1SCC
InChIInChI=1S/C14H21ClN2OS/c1-4-16-10(3)9-17-14(18)12-8-11(15)6-7-13(12)19-5-2/h6-8,10,16H,4-5,9H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyPEJHAGNJQKQOIE-SNVBAGLBSA-N
MW300.86 g/mol
LogP3.18
Rot. Bonds7

About 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide

5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide (PubChem CID 120652149) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide
PubChem CID120652149
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(Cl)ccc1SCC
InChIInChI=1S/C14H21ClN2OS/c1-4-16-10(3)9-17-14(18)12-8-11(15)6-7-13(12)19-5-2/h6-8,10,16H,4-5,9H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyPEJHAGNJQKQOIE-SNVBAGLBSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
CID 119384225
2-(4-chlorobenzoyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120655275
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
CID 120506420
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
4-[(5-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 119352707
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654646
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide
CID 120653289

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide (CID 120652149) is 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide is CCN[C@H](C)CNC(=O)c1cc(Cl)ccc1SCC.
What is the InChIKey of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide?
The InChIKey is PEJHAGNJQKQOIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-4-16-10(3)9-17-14(18)12-8-11(15)6-7-13(12)19-5-2/h6-8,10,16H,4-5,9H2,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide?
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide has a molecular weight of 300.86 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 120652149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).