4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide

C19H21ClN2O3S — CID 110295565

IUPAC4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H21ClN2O3S/c1-2-21(16-8-4-3-5-9-16)19(23)15-10-11-17(20)18(14-15)22-12-6-7-13-26(22,24)25/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChIKeyBCMCTNPCSUODJA-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.94
Rot. Bonds4

About 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide

4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide (PubChem CID 110295565) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide
PubChem CID110295565
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H21ClN2O3S/c1-2-21(16-8-4-3-5-9-16)19(23)15-10-11-17(20)18(14-15)22-12-6-7-13-26(22,24)25/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChIKeyBCMCTNPCSUODJA-UHFFFAOYSA-N
XLogP3.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide
CID 7686148
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295560
2-[[4-chloro-3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]ethyl-diethylazanium
CID 7686137
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 71827935
4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516998
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971
4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516982
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86906799
2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996972
4-(1,1-dioxothiazinan-2-yl)-3-fluorobenzoic acid
CID 116814448
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide (CID 110295565) is 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1ccccc1.
What is the InChIKey of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide?
The InChIKey is BCMCTNPCSUODJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-2-21(16-8-4-3-5-9-16)19(23)15-10-11-17(20)18(14-15)22-12-6-7-13-26(22,24)25/h3-5,8-11,14H,2,6-7,12-13H2,1H3.
What are the key properties of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide?
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 110295565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).