(2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

C26H30N2O6S — CID 55937759

IUPAC(2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C26H30N2O6S/c1-4-34-25-10-9-23(35(30,31)28-11-13-33-14-12-28)17-24(25)27-26(29)18(2)19-5-6-21-16-22(32-3)8-7-20(21)15-19/h5-10,15-18H,4,11-14H2,1-3H3,(H,27,29)/t18-/m0/s1
InChIKeyXUEMNSQMNRPVEB-SFHVURJKSA-N
MW498.60 g/mol
LogP4.01
Rot. Bonds8

About (2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 55937759) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is (2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID55937759
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name(2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C26H30N2O6S/c1-4-34-25-10-9-23(35(30,31)28-11-13-33-14-12-28)17-24(25)27-26(29)18(2)19-5-6-21-16-22(32-3)8-7-20(21)15-19/h5-10,15-18H,4,11-14H2,1-3H3,(H,27,29)/t18-/m0/s1
InChIKeyXUEMNSQMNRPVEB-SFHVURJKSA-N
XLogP4.01
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 55937981
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9118488
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 55395583
3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24981047
4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 4688141
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 43024520
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 27881487

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 55937759) is (2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of (2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is XUEMNSQMNRPVEB-SFHVURJKSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-4-34-25-10-9-23(35(30,31)28-11-13-33-14-12-28)17-24(25)27-26(29)18(2)19-5-6-21-16-22(32-3)8-7-20(21)15-19/h5-10,15-18H,4,11-14H2,1-3H3,(H,27,29)/t18-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 498.60 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 55937759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).