3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide

C24H32N2O6S — CID 100545266

IUPAC3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)COc1ccccc1C
InChIInChI=1S/C24H32N2O6S/c1-18-6-4-5-7-22(18)32-17-19(2)25-24(27)11-8-20-16-21(9-10-23(20)30-3)33(28,29)26-12-14-31-15-13-26/h4-7,9-10,16,19H,8,11-15,17H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyANKQONOQAUPFNB-IBGZPJMESA-N
MW476.60 g/mol
LogP2.54
Rot. Bonds10

About 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide (PubChem CID 100545266) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide
PubChem CID100545266
Molecular FormulaC24H32N2O6S
Molecular Weight476.60 g/mol
Exact Mass476.20
IUPAC Name3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)COc1ccccc1C
InChIInChI=1S/C24H32N2O6S/c1-18-6-4-5-7-22(18)32-17-19(2)25-24(27)11-8-20-16-21(9-10-23(20)30-3)33(28,29)26-12-14-31-15-13-26/h4-7,9-10,16,19H,8,11-15,17H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyANKQONOQAUPFNB-IBGZPJMESA-N
XLogP2.54
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 133164943
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 100642212
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165831
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
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43901349
methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
CID 100692700
4-methyl-N-[1-(2-methylphenoxy)propan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 132669528
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 100767673
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
2-methyl-N-[1-(2-methylphenoxy)propan-2-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 132665015

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide?
The IUPAC name of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide (CID 100545266) is 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)COc1ccccc1C.
What is the InChIKey of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide?
The InChIKey is ANKQONOQAUPFNB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N2O6S/c1-18-6-4-5-7-22(18)32-17-19(2)25-24(27)11-8-20-16-21(9-10-23(20)30-3)33(28,29)26-12-14-31-15-13-26/h4-7,9-10,16,19H,8,11-15,17H2,1-3H3,(H,25,27)/t19-/m0/s1.
What are the key properties of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide?
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide has a molecular weight of 476.60 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 100545266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).