N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C15H20N2O4S — CID 21007379

IUPACN-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCCCN(C)C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C15H20N2O4S/c1-3-4-9-16(2)15(19)12-6-5-7-13(11-12)17-14(18)8-10-22(17,20)21/h5-7,11H,3-4,8-10H2,1-2H3
InChIKeyIWHWVUVSQVWLMT-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.63
Rot. Bonds5

About N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007379) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21007379
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCCCN(C)C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C15H20N2O4S/c1-3-4-9-16(2)15(19)12-6-5-7-13(11-12)17-14(18)8-10-22(17,20)21/h5-7,11H,3-4,8-10H2,1-2H3
InChIKeyIWHWVUVSQVWLMT-UHFFFAOYSA-N
XLogP1.63
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
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
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821
N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898583
N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 82092532
N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 26833741
N-butyl-3-carbamothioyl-N-methylbenzamide
CID 24696924
N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898606
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110301781
N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695092
N-(3,5-dichlorophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007403
N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898578
N-butyl-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007117

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007379) is N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CCCCN(C)C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is IWHWVUVSQVWLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-3-4-9-16(2)15(19)12-6-5-7-13(11-12)17-14(18)8-10-22(17,20)21/h5-7,11H,3-4,8-10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 324.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).