(2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide

C11H17ClN2O2S — CID 99841243

IUPAC(2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide
SMILESCOCCN(Cc1cc(Cl)cs1)[C@@H](C)C(N)=O
InChIInChI=1S/C11H17ClN2O2S/c1-8(11(13)15)14(3-4-16-2)6-10-5-9(12)7-17-10/h5,7-8H,3-4,6H2,1-2H3,(H2,13,15)/t8-/m0/s1
InChIKeyKEASWYXXFFYELN-QMMMGPOBSA-N
MW276.79 g/mol
LogP1.72
Rot. Bonds7

About (2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide

(2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide (PubChem CID 99841243) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is (2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide
PubChem CID99841243
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name(2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide
SMILESCOCCN(Cc1cc(Cl)cs1)[C@@H](C)C(N)=O
InChIInChI=1S/C11H17ClN2O2S/c1-8(11(13)15)14(3-4-16-2)6-10-5-9(12)7-17-10/h5,7-8H,3-4,6H2,1-2H3,(H2,13,15)/t8-/m0/s1
InChIKeyKEASWYXXFFYELN-QMMMGPOBSA-N
XLogP1.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide?
The IUPAC name of (2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide (CID 99841243) is (2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide?
The canonical SMILES for (2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide is COCCN(Cc1cc(Cl)cs1)[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide?
The InChIKey is KEASWYXXFFYELN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-8(11(13)15)14(3-4-16-2)6-10-5-9(12)7-17-10/h5,7-8H,3-4,6H2,1-2H3,(H2,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide?
(2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide has a molecular weight of 276.79 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide is sourced from PubChem (CID 99841243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).