N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide

C19H21ClN2O3S — CID 110295534

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c1-13-11-14(2)18(17(20)12-13)21-19(23)15-5-7-16(8-6-15)22-9-3-4-10-26(22,24)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyVFMWHWBDNJBDPW-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.14
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide

N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 110295534) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID110295534
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c1-13-11-14(2)18(17(20)12-13)21-19(23)15-5-7-16(8-6-15)22-9-3-4-10-26(22,24)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyVFMWHWBDNJBDPW-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110618406
N-(2-chloro-4,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4004468
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 18109023
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7685602
N-(2-chloro-4-nitrophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7498981
N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
CID 2673711
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7584549
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (CID 110295534) is N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is VFMWHWBDNJBDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13-11-14(2)18(17(20)12-13)21-19(23)15-5-7-16(8-6-15)22-9-3-4-10-26(22,24)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 392.91 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 110295534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).