N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide

C16H23ClN2O3S — CID 164633077

IUPACN-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
SMILESCC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C16H23ClN2O3S/c1-12(2)16(13-7-4-5-8-14(13)17)18(3)15(20)11-19-9-6-10-23(19,21)22/h4-5,7-8,12,16H,6,9-11H2,1-3H3/t16-/m0/s1
InChIKeyYCRORUIPVVSLEF-INIZCTEOSA-N
MW358.89 g/mol
LogP2.53
Rot. Bonds5

About N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide

N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide (PubChem CID 164633077) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
PubChem CID164633077
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
SMILESCC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C16H23ClN2O3S/c1-12(2)16(13-7-4-5-8-14(13)17)18(3)15(20)11-19-9-6-10-23(19,21)22/h4-5,7-8,12,16H,6,9-11H2,1-3H3/t16-/m0/s1
InChIKeyYCRORUIPVVSLEF-INIZCTEOSA-N
XLogP2.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide with MolForge

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Related Compounds

2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid
CID 119358530
1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
CID 62025819
N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide
CID 110687706
(2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide
CID 124682219
(2R)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide
CID 95335621
(2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide
CID 95335623
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347312
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide
CID 78825273

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide (CID 164633077) is N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide is CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CN1CCCS1(=O)=O.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
The InChIKey is YCRORUIPVVSLEF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-12(2)16(13-7-4-5-8-14(13)17)18(3)15(20)11-19-9-6-10-23(19,21)22/h4-5,7-8,12,16H,6,9-11H2,1-3H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide has a molecular weight of 358.89 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide is sourced from PubChem (CID 164633077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).