N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

C19H22BrN3O4S — CID 24544760

IUPACN-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C19H22BrN3O4S/c1-13-7-9-15(10-8-13)28(26,27)22-12-18(24)21-11-19(25)23-14(2)16-5-3-4-6-17(16)20/h3-10,14,22H,11-12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyXHPMQJIZBBHDBU-UHFFFAOYSA-N
MW468.37 g/mol
LogP2.03
Rot. Bonds8

About N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (PubChem CID 24544760) has the molecular formula C19H22BrN3O4S and a molecular weight of 468.37 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
PubChem CID24544760
Molecular FormulaC19H22BrN3O4S
Molecular Weight468.37 g/mol
Exact Mass467.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C19H22BrN3O4S/c1-13-7-9-15(10-8-13)28(26,27)22-12-18(24)21-11-19(25)23-14(2)16-5-3-4-6-17(16)20/h3-10,14,22H,11-12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyXHPMQJIZBBHDBU-UHFFFAOYSA-N
XLogP2.03
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580
N-(2-bromophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1319136
N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide
CID 9220040
N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9155582
[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061289
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
CID 24549475
benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 4017007
(2S)-2-amino-N-[2-[1-(2-bromophenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82963456
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (CID 24544760) is N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NC(C)c2ccccc2Br)cc1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The InChIKey is XHPMQJIZBBHDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O4S/c1-13-7-9-15(10-8-13)28(26,27)22-12-18(24)21-11-19(25)23-14(2)16-5-3-4-6-17(16)20/h3-10,14,22H,11-12H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide has a molecular weight of 468.37 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is sourced from PubChem (CID 24544760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).