N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

C24H32N2O7S — CID 100642212

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1
InChIInChI=1S/C24H32N2O7S/c1-17(21-16-19(30-2)6-8-23(21)32-4)25-24(27)10-5-18-15-20(7-9-22(18)31-3)34(28,29)26-11-13-33-14-12-26/h6-9,15-17H,5,10-14H2,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyAOLCDOXMBKOMSY-QGZVFWFLSA-N
MW492.59 g/mol
LogP2.54
Rot. Bonds10

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 100642212) has the molecular formula C24H32N2O7S and a molecular weight of 492.59 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID100642212
Molecular FormulaC24H32N2O7S
Molecular Weight492.59 g/mol
Exact Mass492.19
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1
InChIInChI=1S/C24H32N2O7S/c1-17(21-16-19(30-2)6-8-23(21)32-4)25-24(27)10-5-18-15-20(7-9-22(18)31-3)34(28,29)26-11-13-33-14-12-26/h6-9,15-17H,5,10-14H2,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyAOLCDOXMBKOMSY-QGZVFWFLSA-N
XLogP2.54
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165831
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 100545266
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 133164943
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 100619459
N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 133161383
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402422
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9477031
methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
CID 100692700
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 100642212) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is COc1ccc(OC)c([C@@H](C)NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is AOLCDOXMBKOMSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H32N2O7S/c1-17(21-16-19(30-2)6-8-23(21)32-4)25-24(27)10-5-18-15-20(7-9-22(18)31-3)34(28,29)26-11-13-33-14-12-26/h6-9,15-17H,5,10-14H2,1-4H3,(H,25,27)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 492.59 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 100642212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).