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

C30H30N2O6S — CID 43870807

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C30H30N2O6S/c1-36-28-18-17-26(20-29(28)37-2)39(34,35)32-27(19-22-9-5-3-6-10-22)30(33)31-24-13-15-25(16-14-24)38-21-23-11-7-4-8-12-23/h3-18,20,27,32H,19,21H2,1-2H3,(H,31,33)
InChIKeyNAMUYUIDBXPARV-UHFFFAOYSA-N
MW546.65 g/mol
LogP4.81
Rot. Bonds12

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

2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 43870807) has the molecular formula C30H30N2O6S and a molecular weight of 546.65 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID43870807
Molecular FormulaC30H30N2O6S
Molecular Weight546.65 g/mol
Exact Mass546.18
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C30H30N2O6S/c1-36-28-18-17-26(20-29(28)37-2)39(34,35)32-27(19-22-9-5-3-6-10-22)30(33)31-24-13-15-25(16-14-24)38-21-23-11-7-4-8-12-23/h3-18,20,27,32H,19,21H2,1-2H3,(H,31,33)
InChIKeyNAMUYUIDBXPARV-UHFFFAOYSA-N
XLogP4.81
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.65
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
CID 28538298
(2S)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538504
(2R)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538432
N-(3-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870844
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 94860915
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N,3-diphenylpropanamide
CID 28541649
N-(3-acetylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870823
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870729
(2R)-N-(2,6-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538422
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538526
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide (CID 43870807) is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is NAMUYUIDBXPARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O6S/c1-36-28-18-17-26(20-29(28)37-2)39(34,35)32-27(19-22-9-5-3-6-10-22)30(33)31-24-13-15-25(16-14-24)38-21-23-11-7-4-8-12-23/h3-18,20,27,32H,19,21H2,1-2H3,(H,31,33).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide?
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 546.65 g/mol, XLogP of 4.81, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 43870807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).