N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide

C20H26N2O4S — CID 8841604

IUPACN-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
SMILESCCN1C[C@H](CN(C)S(=O)(=O)c2cc(C)ccc2OC)Oc2ccccc21
InChIInChI=1S/C20H26N2O4S/c1-5-22-14-16(26-18-9-7-6-8-17(18)22)13-21(3)27(23,24)20-12-15(2)10-11-19(20)25-4/h6-12,16H,5,13-14H2,1-4H3/t16-/m0/s1
InChIKeyBGBPKQCSBNKMDV-INIZCTEOSA-N
MW390.51 g/mol
LogP2.91
Rot. Bonds6

About N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide

N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide (PubChem CID 8841604) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
PubChem CID8841604
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
SMILESCCN1C[C@H](CN(C)S(=O)(=O)c2cc(C)ccc2OC)Oc2ccccc21
InChIInChI=1S/C20H26N2O4S/c1-5-22-14-16(26-18-9-7-6-8-17(18)22)13-21(3)27(23,24)20-12-15(2)10-11-19(20)25-4/h6-12,16H,5,13-14H2,1-4H3/t16-/m0/s1
InChIKeyBGBPKQCSBNKMDV-INIZCTEOSA-N
XLogP2.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 90635944
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 8841592
N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 24551493
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 51248989
3,5-dichloro-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-4-methoxy-N-methylbenzamide
CID 24551459
4-[[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]methyl]-7-methylchromen-2-one
CID 18094567
4-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 110870716
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 95280449
N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 51239164
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-3-methylsulfonylbenzamide
CID 52517187
N-[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-2-oxoethyl]-3-methylbenzamide
CID 46656096

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide (CID 8841604) is N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide is CCN1C[C@H](CN(C)S(=O)(=O)c2cc(C)ccc2OC)Oc2ccccc21.
What is the InChIKey of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The InChIKey is BGBPKQCSBNKMDV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-22-14-16(26-18-9-7-6-8-17(18)22)13-21(3)27(23,24)20-12-15(2)10-11-19(20)25-4/h6-12,16H,5,13-14H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 8841604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).