(2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C17H23ClN2O4S — CID 94025956

IUPAC(2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C1CCCCC1
InChIInChI=1S/C17H23ClN2O4S/c1-19(13-6-4-3-5-7-13)17(21)16-11-20(25(2,22)23)14-10-12(18)8-9-15(14)24-16/h8-10,13,16H,3-7,11H2,1-2H3/t16-/m1/s1
InChIKeyINKKRKNSFQQLGL-MRXNPFEDSA-N
MW386.90 g/mol
LogP2.66
Rot. Bonds3

About (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 94025956) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID94025956
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name(2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C1CCCCC1
InChIInChI=1S/C17H23ClN2O4S/c1-19(13-6-4-3-5-7-13)17(21)16-11-20(25(2,22)23)14-10-12(18)8-9-15(14)24-16/h8-10,13,16H,3-7,11H2,1-2H3/t16-/m1/s1
InChIKeyINKKRKNSFQQLGL-MRXNPFEDSA-N
XLogP2.66
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-N-cyclopentyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 3370714
(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-piperidin-1-ylmethanone
CID 43918707
(2R)-N-tert-butyl-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 28631176
[(2R)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 93490178
(2S)-6-chloro-N-(3,5-dichlorophenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93490909
7-chloro-N-cyclopentyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 43918582
(2R)-6-chloro-N-(1-methylpiperidin-4-yl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 99131484
6-chloro-N-(2-cyclopentylsulfanylethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133187089
(2S)-6-chloro-2-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 95991012
(2R)-6-chloro-N-[(4-chlorophenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 28577537
(2S)-6-chloro-N-(2-methylpropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30378882
(2R)-6-chloro-N-(2-methylpropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30378887

Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 94025956) is (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C1CCCCC1.
What is the InChIKey of (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is INKKRKNSFQQLGL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c1-19(13-6-4-3-5-7-13)17(21)16-11-20(25(2,22)23)14-10-12(18)8-9-15(14)24-16/h8-10,13,16H,3-7,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 386.90 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-N-cyclohexyl-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 94025956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).