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N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide

C20H21N3O3S — CID 50777132

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCc1ccccc1NC(=O)CN1C(=O)CSc2ccc(C(=O)N(C)C)cc21
InChIInChI=1S/C20H21N3O3S/c1-13-6-4-5-7-15(13)21-18(24)11-23-16-10-14(20(26)22(2)3)8-9-17(16)27-12-19(23)25/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyIPPKZQFABFMJTI-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.77
Rot. Bonds4

About N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide

N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 50777132) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID50777132
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCc1ccccc1NC(=O)CN1C(=O)CSc2ccc(C(=O)N(C)C)cc21
InChIInChI=1S/C20H21N3O3S/c1-13-6-4-5-7-15(13)21-18(24)11-23-16-10-14(20(26)22(2)3)8-9-17(16)27-12-19(23)25/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyIPPKZQFABFMJTI-UHFFFAOYSA-N
XLogP2.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide (CID 50777132) is N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide is Cc1ccccc1NC(=O)CN1C(=O)CSc2ccc(C(=O)N(C)C)cc21.
What is the InChIKey of N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is IPPKZQFABFMJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-6-4-5-7-15(13)21-18(24)11-23-16-10-14(20(26)22(2)3)8-9-17(16)27-12-19(23)25/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 50777132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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