2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide

C18H22N2O4S — CID 1006691

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-14-9-11-15(12-10-14)25(22,23)20-17-8-6-5-7-16(17)18(21)19-13(2)3/h5-13,20H,4H2,1-3H3,(H,19,21)
InChIKeyQZRWWEJAQPMBQH-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.02
Rot. Bonds7

About 2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide

2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide (PubChem CID 1006691) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
PubChem CID1006691
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-14-9-11-15(12-10-14)25(22,23)20-17-8-6-5-7-16(17)18(21)19-13(2)3/h5-13,20H,4H2,1-3H3,(H,19,21)
InChIKeyQZRWWEJAQPMBQH-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 98390321
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 129377514
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 25360739
1-[[2-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-ethylthiourea
CID 2347505
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875867
4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 6781563
[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7951667

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide (CID 1006691) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The InChIKey is QZRWWEJAQPMBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-14-9-11-15(12-10-14)25(22,23)20-17-8-6-5-7-16(17)18(21)19-13(2)3/h5-13,20H,4H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide?
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1006691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).