2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C15H19ClN2O5S — CID 110416362

IUPAC2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOCCCCNC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl
InChIInChI=1S/C15H19ClN2O5S/c1-23-8-3-2-7-17-15(20)12-10-11(4-5-13(12)16)18-14(19)6-9-24(18,21)22/h4-5,10H,2-3,6-9H2,1H3,(H,17,20)
InChIKeyDWVVKRKAQOOYSA-UHFFFAOYSA-N
MW374.85 g/mol
LogP1.56
Rot. Bonds7

About 2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 110416362) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID110416362
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC Name2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOCCCCNC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl
InChIInChI=1S/C15H19ClN2O5S/c1-23-8-3-2-7-17-15(20)12-10-11(4-5-13(12)16)18-14(19)6-9-24(18,21)22/h4-5,10H,2-3,6-9H2,1H3,(H,17,20)
InChIKeyDWVVKRKAQOOYSA-UHFFFAOYSA-N
XLogP1.56
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110618030
N-butyl-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007117
2-chloro-N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007137
2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007121
2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42347700
2-chloro-N-(2-methoxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996983
2-chloro-N-(4-methoxybutyl)-5-nitrobenzamide
CID 60789022
N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006820
N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996979
N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110617107
2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 110416362) is 2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is COCCCCNC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is DWVVKRKAQOOYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5S/c1-23-8-3-2-7-17-15(20)12-10-11(4-5-13(12)16)18-14(19)6-9-24(18,21)22/h4-5,10H,2-3,6-9H2,1H3,(H,17,20).
What are the key properties of 2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 374.85 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 110416362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).