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

C18H22N2O5S — CID 1315034

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC
InChIInChI=1S/C18H22N2O5S/c1-12(2)19-18(21)14-7-5-6-8-15(14)20-26(22,23)13-9-10-16(24-3)17(11-13)25-4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyFQFIUOGUFLWGRQ-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.64
Rot. Bonds7

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

2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide (PubChem CID 1315034) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
PubChem CID1315034
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC
InChIInChI=1S/C18H22N2O5S/c1-12(2)19-18(21)14-7-5-6-8-15(14)20-26(22,23)13-9-10-16(24-3)17(11-13)25-4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyFQFIUOGUFLWGRQ-UHFFFAOYSA-N
XLogP2.64
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide (CID 1315034) is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The InChIKey is FQFIUOGUFLWGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-12(2)19-18(21)14-7-5-6-8-15(14)20-26(22,23)13-9-10-16(24-3)17(11-13)25-4/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide?
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide has a molecular weight of 378.45 g/mol, XLogP of 2.64, 7 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]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1315034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).