4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide

C22H29N3O5S — CID 41102992

IUPAC4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](C)c2ccccc2OC)cc1
InChIInChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)18-13-11-17(12-14-18)22(27)23-15-21(26)24-16(3)19-9-7-8-10-20(19)30-4/h7-14,16H,5-6,15H2,1-4H3,(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyIYWGWZYWZFHVMP-MRXNPFEDSA-N
MW447.56 g/mol
LogP2.33
Rot. Bonds10

About 4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide

4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide (PubChem CID 41102992) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
PubChem CID41102992
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](C)c2ccccc2OC)cc1
InChIInChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)18-13-11-17(12-14-18)22(27)23-15-21(26)24-16(3)19-9-7-8-10-20(19)30-4/h7-14,16H,5-6,15H2,1-4H3,(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyIYWGWZYWZFHVMP-MRXNPFEDSA-N
XLogP2.33
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55409476
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 8008838
N-[2-[1-[2-(methanesulfonamido)phenyl]ethylamino]-2-oxoethyl]-4-methoxybenzamide
CID 55932572
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43891548
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546628
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871620
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052451
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 55366683
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544211
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544990
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26618752

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide (CID 41102992) is 4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](C)c2ccccc2OC)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is IYWGWZYWZFHVMP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)18-13-11-17(12-14-18)22(27)23-15-21(26)24-16(3)19-9-7-8-10-20(19)30-4/h7-14,16H,5-6,15H2,1-4H3,(H,23,27)(H,24,26)/t16-/m1/s1.
What are the key properties of 4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 41102992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).