[2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

C27H26Cl2N2O6S — CID 2119505

IUPAC[2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26Cl2N2O6S/c1-30(26(19-8-4-2-5-9-19)20-10-6-3-7-11-20)25(32)18-37-27(33)21-16-24(23(29)17-22(21)28)38(34,35)31-12-14-36-15-13-31/h2-11,16-17,26H,12-15,18H2,1H3
InChIKeyGNOWSXAYLHGEPD-UHFFFAOYSA-N
MW577.49 g/mol
LogP4.42
Rot. Bonds8

About [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

[2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2119505) has the molecular formula C27H26Cl2N2O6S and a molecular weight of 577.49 g/mol. Its IUPAC name is [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2119505
Molecular FormulaC27H26Cl2N2O6S
Molecular Weight577.49 g/mol
Exact Mass576.09
IUPAC Name[2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26Cl2N2O6S/c1-30(26(19-8-4-2-5-9-19)20-10-6-3-7-11-20)25(32)18-37-27(33)21-16-24(23(29)17-22(21)28)38(34,35)31-12-14-36-15-13-31/h2-11,16-17,26H,12-15,18H2,1H3
InChIKeyGNOWSXAYLHGEPD-UHFFFAOYSA-N
XLogP4.42
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate with MolForge

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Related Compounds

2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178
[2-oxo-2-(propan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527052
(2-morpholin-4-yl-2-oxoethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2432075
2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518137
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4692168
[2-oxo-2-(pentan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4566884
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527076
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 40950079
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16596185
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521150
4-chloro-N-methyl-3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 43021977

Frequently Asked Questions

What is the IUPAC name of [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (CID 2119505) is [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is CN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is GNOWSXAYLHGEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N2O6S/c1-30(26(19-8-4-2-5-9-19)20-10-6-3-7-11-20)25(32)18-37-27(33)21-16-24(23(29)17-22(21)28)38(34,35)31-12-14-36-15-13-31/h2-11,16-17,26H,12-15,18H2,1H3.
What are the key properties of [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
[2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 577.49 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2119505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).