3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide

C19H22N2O5S — CID 110412908

IUPAC3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-7-3-14(4-8-16)5-10-19(22)20-15-6-9-18-17(13-15)21(11-12-26-18)27(2,23)24/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,20,22)
InChIKeyCMUSGHDIGJVZCF-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.42
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide

3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide (PubChem CID 110412908) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
PubChem CID110412908
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-7-3-14(4-8-16)5-10-19(22)20-15-6-9-18-17(13-15)21(11-12-26-18)27(2,23)24/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,20,22)
InChIKeyCMUSGHDIGJVZCF-UHFFFAOYSA-N
XLogP2.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 110412876
2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110412866
phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
CID 110412901
N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-thiophen-2-ylacetamide
CID 110639823
3-(4-methoxyphenyl)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 16929997
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-(4-methoxyphenyl)propanamide
CID 110370645
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-ethylphenyl)propanamide
CID 110639944
1-(6-acetyl-2,3-dihydro-1,4-benzoxazin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110737770

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide (CID 110412908) is 3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide is COc1ccc(CCC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCO3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is CMUSGHDIGJVZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-16-7-3-14(4-8-16)5-10-19(22)20-15-6-9-18-17(13-15)21(11-12-26-18)27(2,23)24/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 390.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 110412908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).