2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide

C20H26N2O5S — CID 43870729

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC(C)C)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-14(2)21-20(23)17(12-15-8-6-5-7-9-15)22-28(24,25)16-10-11-18(26-3)19(13-16)27-4/h5-11,13-14,17,22H,12H2,1-4H3,(H,21,23)
InChIKeyUWAAYIDDSFSJLH-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.12
Rot. Bonds9

About 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide

2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 43870729) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID43870729
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC(C)C)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-14(2)21-20(23)17(12-15-8-6-5-7-9-15)22-28(24,25)16-10-11-18(26-3)19(13-16)27-4/h5-11,13-14,17,22H,12H2,1-4H3,(H,21,23)
InChIKeyUWAAYIDDSFSJLH-UHFFFAOYSA-N
XLogP2.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]-3-phenylpropanamide
CID 28538642
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide
CID 28538711
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538757
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 43906642
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 43870750
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28538128
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860886
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 94860943
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
CID 28538298
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538195

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide (CID 43870729) is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC(C)C)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is UWAAYIDDSFSJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14(2)21-20(23)17(12-15-8-6-5-7-9-15)22-28(24,25)16-10-11-18(26-3)19(13-16)27-4/h5-11,13-14,17,22H,12H2,1-4H3,(H,21,23).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide?
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 406.50 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 43870729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).