3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide

C20H26N2O4S — CID 51149160

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2ccccc2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-26-17-9-11-18(12-10-17)27(24,25)21-14-13-20(23)22-16(3)19-8-6-5-7-15(19)2/h5-12,16,21H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyCVKIRCPLVIITBI-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.94
Rot. Bonds9

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide (PubChem CID 51149160) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
PubChem CID51149160
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2ccccc2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-26-17-9-11-18(12-10-17)27(24,25)21-14-13-20(23)22-16(3)19-8-6-5-7-15(19)2/h5-12,16,21H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyCVKIRCPLVIITBI-UHFFFAOYSA-N
XLogP2.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 112789058
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877
N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24544702
2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid
CID 119188454
N-(2,3-dimethylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26538586
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112763941
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide (CID 51149160) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2ccccc2C)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is CVKIRCPLVIITBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-26-17-9-11-18(12-10-17)27(24,25)21-14-13-20(23)22-16(3)19-8-6-5-7-15(19)2/h5-12,16,21H,4,13-14H2,1-3H3,(H,22,23).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 51149160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).