2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide

C24H27N3O7S2 — CID 43874784

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C24H27N3O7S2/c1-33-22-13-12-20(15-23(22)34-2)36(31,32)27-21(14-17-6-4-3-5-7-17)24(28)26-16-18-8-10-19(11-9-18)35(25,29)30/h3-13,15,21,27H,14,16H2,1-2H3,(H,26,28)(H2,25,29,30)
InChIKeyYMDGRADUCXGSFR-UHFFFAOYSA-N
MW533.63 g/mol
LogP1.56
Rot. Bonds11

About 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide

2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 43874784) has the molecular formula C24H27N3O7S2 and a molecular weight of 533.63 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID43874784
Molecular FormulaC24H27N3O7S2
Molecular Weight533.63 g/mol
Exact Mass533.13
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C24H27N3O7S2/c1-33-22-13-12-20(15-23(22)34-2)36(31,32)27-21(14-17-6-4-3-5-7-17)24(28)26-16-18-8-10-19(11-9-18)35(25,29)30/h3-13,15,21,27H,14,16H2,1-2H3,(H,26,28)(H2,25,29,30)
InChIKeyYMDGRADUCXGSFR-UHFFFAOYSA-N
XLogP1.56
TPSA153.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28538144
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874789
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28538234
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 94861770
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538195
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 43870750
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 94861767
N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870745
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28538128
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 43871015
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870729

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 43874784) is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is YMDGRADUCXGSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O7S2/c1-33-22-13-12-20(15-23(22)34-2)36(31,32)27-21(14-17-6-4-3-5-7-17)24(28)26-16-18-8-10-19(11-9-18)35(25,29)30/h3-13,15,21,27H,14,16H2,1-2H3,(H,26,28)(H2,25,29,30).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 533.63 g/mol, XLogP of 1.56, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 43874784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).