N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C20H21Cl2N3O4S — CID 146668453

IUPACN-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cc(N3CCCS3(=O)=O)cc(Cl)c2Cl)cc(C(N)=O)c1
InChIInChI=1S/C20H21Cl2N3O4S/c1-2-4-12-7-13(19(23)26)9-14(8-12)24-20(27)16-10-15(11-17(21)18(16)22)25-5-3-6-30(25,28)29/h7-11H,2-6H2,1H3,(H2,23,26)(H,24,27)
InChIKeyMNQKWFNSSSYKOM-UHFFFAOYSA-N
MW470.38 g/mol
LogP3.84
Rot. Bonds6

About N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146668453) has the molecular formula C20H21Cl2N3O4S and a molecular weight of 470.38 g/mol. Its IUPAC name is N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID146668453
Molecular FormulaC20H21Cl2N3O4S
Molecular Weight470.38 g/mol
Exact Mass469.06
IUPAC NameN-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cc(N3CCCS3(=O)=O)cc(Cl)c2Cl)cc(C(N)=O)c1
InChIInChI=1S/C20H21Cl2N3O4S/c1-2-4-12-7-13(19(23)26)9-14(8-12)24-20(27)16-10-15(11-17(21)18(16)22)25-5-3-6-30(25,28)29/h7-11H,2-6H2,1H3,(H2,23,26)(H,24,27)
InChIKeyMNQKWFNSSSYKOM-UHFFFAOYSA-N
XLogP3.84
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628114
2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628312
2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667641
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
CID 146628413
N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499041
2,3-dichloro-N-[3-chloro-5-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668423
2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667513
2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628430
2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668495
2-chloro-N-(3-chloro-5-methoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbenzamide
CID 146668607
2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668604
2-bromo-N-(3-chloro-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668889

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146668453) is N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is CCCc1cc(NC(=O)c2cc(N3CCCS3(=O)=O)cc(Cl)c2Cl)cc(C(N)=O)c1.
What is the InChIKey of N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is MNQKWFNSSSYKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4S/c1-2-4-12-7-13(19(23)26)9-14(8-12)24-20(27)16-10-15(11-17(21)18(16)22)25-5-3-6-30(25,28)29/h7-11H,2-6H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 470.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146668453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).