3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide

C20H27N3O7S2 — CID 71945662

IUPAC3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNS(=O)(=O)c1ccc(OC)c(N(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H27N3O7S2/c1-23(32(27,28)16-7-5-4-6-8-16)18-15-17(9-10-19(18)30-3)31(25,26)22-12-11-20(24)21-13-14-29-2/h4-10,15,22H,11-14H2,1-3H3,(H,21,24)
InChIKeyWYYROZYHYYHVOT-UHFFFAOYSA-N
MW485.58 g/mol
LogP0.95
Rot. Bonds12

About 3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide

3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 71945662) has the molecular formula C20H27N3O7S2 and a molecular weight of 485.58 g/mol. Its IUPAC name is 3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
PubChem CID71945662
Molecular FormulaC20H27N3O7S2
Molecular Weight485.58 g/mol
Exact Mass485.13
IUPAC Name3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNS(=O)(=O)c1ccc(OC)c(N(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H27N3O7S2/c1-23(32(27,28)16-7-5-4-6-8-16)18-15-17(9-10-19(18)30-3)31(25,26)22-12-11-20(24)21-13-14-29-2/h4-10,15,22H,11-14H2,1-3H3,(H,21,24)
InChIKeyWYYROZYHYYHVOT-UHFFFAOYSA-N
XLogP0.95
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide
CID 44654174
3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide
CID 18590758
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119408095
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
CID 119324497
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 109063631
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 26543777

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide (CID 71945662) is 3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNS(=O)(=O)c1ccc(OC)c(N(C)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is WYYROZYHYYHVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O7S2/c1-23(32(27,28)16-7-5-4-6-8-16)18-15-17(9-10-19(18)30-3)31(25,26)22-12-11-20(24)21-13-14-29-2/h4-10,15,22H,11-14H2,1-3H3,(H,21,24).
What are the key properties of 3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide?
3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 485.58 g/mol, XLogP of 0.95, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 71945662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).