3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide

C20H20Cl2N2O4S — CID 6732901

IUPAC3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CS(=O)(=O)CC2NC(=O)c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C20H20Cl2N2O4S/c1-11-3-5-13(7-15(11)21)19(25)23-17-9-29(27,28)10-18(17)24-20(26)14-6-4-12(2)16(22)8-14/h3-8,17-18H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHUTDVQPMRQDVLO-UHFFFAOYSA-N
MW455.36 g/mol
LogP2.94
Rot. Bonds4

About 3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide

3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide (PubChem CID 6732901) has the molecular formula C20H20Cl2N2O4S and a molecular weight of 455.36 g/mol. Its IUPAC name is 3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide
PubChem CID6732901
Molecular FormulaC20H20Cl2N2O4S
Molecular Weight455.36 g/mol
Exact Mass454.05
IUPAC Name3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CS(=O)(=O)CC2NC(=O)c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C20H20Cl2N2O4S/c1-11-3-5-13(7-15(11)21)19(25)23-17-9-29(27,28)10-18(17)24-20(26)14-6-4-12(2)16(22)8-14/h3-8,17-18H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHUTDVQPMRQDVLO-UHFFFAOYSA-N
XLogP2.94
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide?
The IUPAC name of 3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide (CID 6732901) is 3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CS(=O)(=O)CC2NC(=O)c2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide?
The InChIKey is HUTDVQPMRQDVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4S/c1-11-3-5-13(7-15(11)21)19(25)23-17-9-29(27,28)10-18(17)24-20(26)14-6-4-12(2)16(22)8-14/h3-8,17-18H,9-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide?
3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide has a molecular weight of 455.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(3-chloro-4-methylbenzoyl)amino]-1,1-dioxothiolan-3-yl]-4-methylbenzamide is sourced from PubChem (CID 6732901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).