2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide

C15H19ClN2O2S — CID 99846898

IUPAC2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESC[C@@H]1C[C@@H]1[C@@H](NC(=O)CSCC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2S/c1-9-6-12(9)15(10-2-4-11(16)5-3-10)18-14(20)8-21-7-13(17)19/h2-5,9,12,15H,6-8H2,1H3,(H2,17,19)(H,18,20)/t9-,12+,15+/m1/s1
InChIKeyJMNMONKAZWAHBC-LYSGOOTNSA-N
MW326.85 g/mol
LogP2.37
Rot. Bonds7

About 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide

2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 99846898) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide
PubChem CID99846898
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESC[C@@H]1C[C@@H]1[C@@H](NC(=O)CSCC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2S/c1-9-6-12(9)15(10-2-4-11(16)5-3-10)18-14(20)8-21-7-13(17)19/h2-5,9,12,15H,6-8H2,1H3,(H2,17,19)(H,18,20)/t9-,12+,15+/m1/s1
InChIKeyJMNMONKAZWAHBC-LYSGOOTNSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide with MolForge

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Related Compounds

4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide
CID 119336432
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 119806177
4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride
CID 119336431
1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 99847297
2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 120636487
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
CID 93262194
(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methanamine
CID 99724266
N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide
CID 3247434
N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide
CID 126799020

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide (CID 99846898) is 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide is C[C@@H]1C[C@@H]1[C@@H](NC(=O)CSCC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is JMNMONKAZWAHBC-LYSGOOTNSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-9-6-12(9)15(10-2-4-11(16)5-3-10)18-14(20)8-21-7-13(17)19/h2-5,9,12,15H,6-8H2,1H3,(H2,17,19)(H,18,20)/t9-,12+,15+/m1/s1.
What are the key properties of 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide?
2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 326.85 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 99846898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).