N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C18H18N2O4S — CID 26833741

IUPACN-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESC[C@H](NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-13(14-6-3-2-4-7-14)19-18(22)15-8-5-9-16(12-15)20-17(21)10-11-25(20,23)24/h2-9,12-13H,10-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyJTUJMKNWLYQJPP-ZDUSSCGKSA-N
MW358.42 g/mol
LogP2.24
Rot. Bonds4

About N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 26833741) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID26833741
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESC[C@H](NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-13(14-6-3-2-4-7-14)19-18(22)15-8-5-9-16(12-15)20-17(21)10-11-25(20,23)24/h2-9,12-13H,10-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyJTUJMKNWLYQJPP-ZDUSSCGKSA-N
XLogP2.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42343146
N-(3,5-dichlorophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007403
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110301781
N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997161
N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110306432
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 82092532
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 22695295
2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 46828137
N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898606

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 26833741) is N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is C[C@H](NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is JTUJMKNWLYQJPP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-13(14-6-3-2-4-7-14)19-18(22)15-8-5-9-16(12-15)20-17(21)10-11-25(20,23)24/h2-9,12-13H,10-11H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 358.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 26833741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).