N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C21H28N2O4S — CID 1006951

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-16(2)23-28(25,26)20-11-6-17(7-12-20)8-13-21(24)22-15-14-18-4-9-19(27-3)10-5-18/h4-7,9-12,16,23H,8,13-15H2,1-3H3,(H,22,24)
InChIKeyFIAMLCWDGODJRR-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.67
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 1006951) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID1006951
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-16(2)23-28(25,26)20-11-6-17(7-12-20)8-13-21(24)22-15-14-18-4-9-19(27-3)10-5-18/h4-7,9-12,16,23H,8,13-15H2,1-3H3,(H,22,24)
InChIKeyFIAMLCWDGODJRR-UHFFFAOYSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyprosulfamide
CID 11707647
Glisentide
CID 65779
(2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide
CID 25102197
(2R)-4-acetamido-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]butanamide
CID 44634267
N'-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(2R)-2-hydroxypropyl]-(3-methoxyphenyl)sulfonyl-amino]propyl]-N-methyl-butanediamide
CID 15947685
N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-Sulfamoylbenzamide
CID 21806575
N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 729989
N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(4-Methoxyphenyl)sulfonyl][(2s)-2-Methylbutyl]amino}propyl]-4-Oxohexanamide
CID 24768535
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]-4-oxo-hexanamide
CID 15948030

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 1006951) is N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is FIAMLCWDGODJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-16(2)23-28(25,26)20-11-6-17(7-12-20)8-13-21(24)22-15-14-18-4-9-19(27-3)10-5-18/h4-7,9-12,16,23H,8,13-15H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 404.53 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1006951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).