2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide

C26H32N4O4S — CID 44567644

IUPAC2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(CCCN(C)Cc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H32N4O4S/c1-29(19-21-9-15-25(16-10-21)35(27,32)33)17-6-18-30(2)20-26(31)28-22-11-13-24(14-12-22)34-23-7-4-3-5-8-23/h3-5,7-16H,6,17-20H2,1-2H3,(H,28,31)(H2,27,32,33)
InChIKeyDIJQFCVOJFHNMA-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.52
Rot. Bonds12

About 2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide

2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 44567644) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide
PubChem CID44567644
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(CCCN(C)Cc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H32N4O4S/c1-29(19-21-9-15-25(16-10-21)35(27,32)33)17-6-18-30(2)20-26(31)28-22-11-13-24(14-12-22)34-23-7-4-3-5-8-23/h3-5,7-16H,6,17-20H2,1-2H3,(H,28,31)(H2,27,32,33)
InChIKeyDIJQFCVOJFHNMA-UHFFFAOYSA-N
XLogP3.52
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
(S)-N-hydroxy-2-(phenylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24806175
(S)-N-hydroxy-2-((S)-1-phenylethylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24951953
N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide
CID 508697
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2340937
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 1135733
2-[N-(4-Chloro-2-methylphenyl)benzenesulfonamido]-N-(4-ethoxyphenyl)acetamide
CID 1260663
N~1~-(3-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 1359892

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide (CID 44567644) is 2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide is CN(CCCN(C)Cc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is DIJQFCVOJFHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-29(19-21-9-15-25(16-10-21)35(27,32)33)17-6-18-30(2)20-26(31)28-22-11-13-24(14-12-22)34-23-7-4-3-5-8-23/h3-5,7-16H,6,17-20H2,1-2H3,(H,28,31)(H2,27,32,33).
What are the key properties of 2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 496.63 g/mol, XLogP of 3.52, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-[methyl-[(4-sulfamoylphenyl)methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 44567644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).