2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide

C23H32N2O6S — CID 3655760

IUPAC2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(CC(=O)NCCCOC(C)C)Cc2ccccc2)c1
InChIInChI=1S/C23H32N2O6S/c1-18(2)31-14-8-13-24-23(26)17-25(16-19-9-6-5-7-10-19)32(27,28)22-15-20(29-3)11-12-21(22)30-4/h5-7,9-12,15,18H,8,13-14,16-17H2,1-4H3,(H,24,26)
InChIKeyNTBHBICSQRAOFL-UHFFFAOYSA-N
MW464.58 g/mol
LogP2.83
Rot. Bonds13

About 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide

2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 3655760) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID3655760
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC Name2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(CC(=O)NCCCOC(C)C)Cc2ccccc2)c1
InChIInChI=1S/C23H32N2O6S/c1-18(2)31-14-8-13-24-23(26)17-25(16-19-9-6-5-7-10-19)32(27,28)22-15-20(29-3)11-12-21(22)30-4/h5-7,9-12,15,18H,8,13-14,16-17H2,1-4H3,(H,24,26)
InChIKeyNTBHBICSQRAOFL-UHFFFAOYSA-N
XLogP2.83
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide
CID 4693114
2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126371916
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 3979664
methyl 4-[[2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 126383816
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126390865
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100797310
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 4563517
(2R)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 125046360
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide
CID 3646997
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4287672
2-[(E)-[[2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 126373097
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide (CID 3655760) is 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide is COc1ccc(OC)c(S(=O)(=O)N(CC(=O)NCCCOC(C)C)Cc2ccccc2)c1.
What is the InChIKey of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is NTBHBICSQRAOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-18(2)31-14-8-13-24-23(26)17-25(16-19-9-6-5-7-10-19)32(27,28)22-15-20(29-3)11-12-21(22)30-4/h5-7,9-12,15,18H,8,13-14,16-17H2,1-4H3,(H,24,26).
What are the key properties of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 464.58 g/mol, XLogP of 2.83, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 3655760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).