(2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C23H29N3O5S2 — CID 26354018

IUPAC(2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1
InChIInChI=1S/C23H29N3O5S2/c1-6-26(7-2)33(29,30)17-9-10-20(31-14(3)4)18(13-17)24-23(28)16-8-11-21-19(12-16)25-22(27)15(5)32-21/h8-15H,6-7H2,1-5H3,(H,24,28)(H,25,27)/t15-/m1/s1
InChIKeySBYJFLGHRKKYLN-OAHLLOKOSA-N
MW491.64 g/mol
LogP4.19
Rot. Bonds8

About (2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

(2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 26354018) has the molecular formula C23H29N3O5S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is (2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID26354018
Molecular FormulaC23H29N3O5S2
Molecular Weight491.64 g/mol
Exact Mass491.15
IUPAC Name(2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1
InChIInChI=1S/C23H29N3O5S2/c1-6-26(7-2)33(29,30)17-9-10-20(31-14(3)4)18(13-17)24-23(28)16-8-11-21-19(12-16)25-22(27)15(5)32-21/h8-15H,6-7H2,1-5H3,(H,24,28)(H,25,27)/t15-/m1/s1
InChIKeySBYJFLGHRKKYLN-OAHLLOKOSA-N
XLogP4.19
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]thiophene-3-carboxamide
CID 17470180
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 162521117
(2S,3S)-3-methyl-2-[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]pentanoic acid
CID 119194206
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
2-methyl-3-oxo-N-(2-propan-2-ylphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 16618740
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27231270
N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550188

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 26354018) is (2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1.
What is the InChIKey of (2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is SBYJFLGHRKKYLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H29N3O5S2/c1-6-26(7-2)33(29,30)17-9-10-20(31-14(3)4)18(13-17)24-23(28)16-8-11-21-19(12-16)25-22(27)15(5)32-21/h8-15H,6-7H2,1-5H3,(H,24,28)(H,25,27)/t15-/m1/s1.
What are the key properties of (2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
(2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 26354018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).