N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide

C18H20ClN3O5S — CID 118070851

IUPACN-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(n1)N(S(=O)(=O)c1cccc(Cl)c1)C[C@H](CO)O2
InChIInChI=1S/C18H20ClN3O5S/c1-11(2)18(24)21-16-7-6-15-17(20-16)22(9-13(10-23)27-15)28(25,26)14-5-3-4-12(19)8-14/h3-8,11,13,23H,9-10H2,1-2H3,(H,20,21,24)/t13-/m1/s1
InChIKeyMBLQAJPNOSPUHB-CYBMUJFWSA-N
MW425.89 g/mol
LogP2.28
Rot. Bonds5

About N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide

N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide (PubChem CID 118070851) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide
PubChem CID118070851
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC NameN-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(n1)N(S(=O)(=O)c1cccc(Cl)c1)C[C@H](CO)O2
InChIInChI=1S/C18H20ClN3O5S/c1-11(2)18(24)21-16-7-6-15-17(20-16)22(9-13(10-23)27-15)28(25,26)14-5-3-4-12(19)8-14/h3-8,11,13,23H,9-10H2,1-2H3,(H,20,21,24)/t13-/m1/s1
InChIKeyMBLQAJPNOSPUHB-CYBMUJFWSA-N
XLogP2.28
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-N-[(2S)-4-(3-chlorophenyl)sulfonyl-2-[(dimethylamino)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 118070862
N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide
CID 123638259
2,6-dichloro-N-[(2S)-4-(3-chlorophenyl)sulfonyl-2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 144913071
N-[(2R)-4-[[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide
CID 118070736
2,6-dichloro-N-[(2R)-4-[(3S,4R)-3,4-dimethylpiperidin-1-yl]sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 118070854
N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
CID 123495473
N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
CID 123472446
2-(4-chlorophenyl)-N-[(2S)-4-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide
CID 69283020
2-[(2S)-4-(3-chlorophenyl)sulfonyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid
CID 118187326
2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid
CID 123996266
2-[4-(3-chlorophenyl)sulfonyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid
CID 122615026
2-chloro-N-[4-(3,4-difluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-6-fluorobenzamide
CID 77406842

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide?
The IUPAC name of N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide (CID 118070851) is N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c(n1)N(S(=O)(=O)c1cccc(Cl)c1)C[C@H](CO)O2.
What is the InChIKey of N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide?
The InChIKey is MBLQAJPNOSPUHB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-11(2)18(24)21-16-7-6-15-17(20-16)22(9-13(10-23)27-15)28(25,26)14-5-3-4-12(19)8-14/h3-8,11,13,23H,9-10H2,1-2H3,(H,20,21,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide?
N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide has a molecular weight of 425.89 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide is sourced from PubChem (CID 118070851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).