N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

C18H22N2O4S — CID 2950042

IUPACN-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCOc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-8-6-5-7-16(17)19-18(21)14(3)20-25(22,23)15-11-9-13(2)10-12-15/h5-12,14,20H,4H2,1-3H3,(H,19,21)
InChIKeyUXCCHRSSOPFYGH-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.70
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 2950042) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID2950042
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCOc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-8-6-5-7-16(17)19-18(21)14(3)20-25(22,23)15-11-9-13(2)10-12-15/h5-12,14,20H,4H2,1-3H3,(H,19,21)
InChIKeyUXCCHRSSOPFYGH-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 2209483
2-[(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2841182
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
(2S)-2-[[4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59483367
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 3580359
(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 42583664
(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide
CID 86826290
(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549474
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
(2R)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 1210914
N-(2-ethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 2991878

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 2950042) is N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is CCOc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is UXCCHRSSOPFYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-17-8-6-5-7-16(17)19-18(21)14(3)20-25(22,23)15-11-9-13(2)10-12-15/h5-12,14,20H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2950042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).