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

C15H18ClN3O3S — CID 110615002

IUPAC2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCC(C)(C#N)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C15H18ClN3O3S/c1-15(2,10-17)18-14(20)12-6-5-11(9-13(12)16)19-7-3-4-8-23(19,21)22/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyYPPCJGPGMYMZMQ-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.30
Rot. Bonds3

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

2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 110615002) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID110615002
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCC(C)(C#N)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C15H18ClN3O3S/c1-15(2,10-17)18-14(20)12-6-5-11(9-13(12)16)19-7-3-4-8-23(19,21)22/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyYPPCJGPGMYMZMQ-UHFFFAOYSA-N
XLogP2.30
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(1,1-dioxothiazinan-2-yl)benzoyl chloride
CID 84818732
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618017
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide
CID 7685760
2-chloro-N-(4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685757
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295545
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499041
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416600
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-2-pyridinyl)benzamide
CID 7658986
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide
CID 124850755
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 71706179
2-chloro-N-(2-cyanopropan-2-yl)-4-nitrobenzamide
CID 520009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide (CID 110615002) is 2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide is CC(C)(C#N)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is YPPCJGPGMYMZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-15(2,10-17)18-14(20)12-6-5-11(9-13(12)16)19-7-3-4-8-23(19,21)22/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 355.85 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 110615002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).