2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide

C18H23N3O6S2 — CID 71906880

IUPAC2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(N)=O)c(OC)c1
InChIInChI=1S/C18H23N3O6S2/c1-3-28(23,24)20-14-9-10-17(16(12-14)27-2)29(25,26)21-15(18(19)22)11-13-7-5-4-6-8-13/h4-10,12,15,20-21H,3,11H2,1-2H3,(H2,19,22)
InChIKeyYELZSKNUKAKNMJ-UHFFFAOYSA-N
MW441.53 g/mol
LogP0.83
Rot. Bonds10

About 2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide

2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide (PubChem CID 71906880) has the molecular formula C18H23N3O6S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide
PubChem CID71906880
Molecular FormulaC18H23N3O6S2
Molecular Weight441.53 g/mol
Exact Mass441.10
IUPAC Name2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(N)=O)c(OC)c1
InChIInChI=1S/C18H23N3O6S2/c1-3-28(23,24)20-14-9-10-17(16(12-14)27-2)29(25,26)21-15(18(19)22)11-13-7-5-4-6-8-13/h4-10,12,15,20-21H,3,11H2,1-2H3,(H2,19,22)
InChIKeyYELZSKNUKAKNMJ-UHFFFAOYSA-N
XLogP0.83
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542324
(2R)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 1267668
4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 28542878
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
ethyl 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 5018434
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30166041
N-(3-methoxy-4-phenylphenyl)ethanesulfonamide
CID 71225607
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 43871505
(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180
methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate
CID 25342310
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
N-(4-aminobutyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 120583580

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide?
The IUPAC name of 2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide (CID 71906880) is 2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for 2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for 2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide is CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(N)=O)c(OC)c1.
What is the InChIKey of 2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide?
The InChIKey is YELZSKNUKAKNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S2/c1-3-28(23,24)20-14-9-10-17(16(12-14)27-2)29(25,26)21-15(18(19)22)11-13-7-5-4-6-8-13/h4-10,12,15,20-21H,3,11H2,1-2H3,(H2,19,22).
What are the key properties of 2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide?
2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide has a molecular weight of 441.53 g/mol, XLogP of 0.83, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 71906880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).