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

C18H18ClN3O4S — CID 7499041

IUPACN-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1
InChIInChI=1S/C18H18ClN3O4S/c19-16-11-14(22-9-1-2-10-27(22,25)26)7-8-15(16)18(24)21-13-5-3-12(4-6-13)17(20)23/h3-8,11H,1-2,9-10H2,(H2,20,23)(H,21,24)
InChIKeyCNPXOAHZNBJYKI-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.62
Rot. Bonds4

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

N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 7499041) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID7499041
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC NameN-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1
InChIInChI=1S/C18H18ClN3O4S/c19-16-11-14(22-9-1-2-10-27(22,25)26)7-8-15(16)18(24)21-13-5-3-12(4-6-13)17(20)23/h3-8,11H,1-2,9-10H2,(H2,20,23)(H,21,24)
InChIKeyCNPXOAHZNBJYKI-UHFFFAOYSA-N
XLogP2.62
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685757
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618017
2-chloro-4-(1,1-dioxothiazinan-2-yl)benzoyl chloride
CID 84818732
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide
CID 7685760
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-2-pyridinyl)benzamide
CID 7658986
2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110615002
N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
CID 151521075
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295545
2-chloro-4-(1,1-dioxothiazepan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide
CID 118463035
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416600

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide (CID 7499041) is N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide is NC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is CNPXOAHZNBJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c19-16-11-14(22-9-1-2-10-27(22,25)26)7-8-15(16)18(24)21-13-5-3-12(4-6-13)17(20)23/h3-8,11H,1-2,9-10H2,(H2,20,23)(H,21,24).
What are the key properties of N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide?
N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 407.88 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 7499041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).