N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide

C19H23BrN2O4S — CID 30168365

IUPACN-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-13(2)14-5-10-17(26-4)18(11-14)27(24,25)22(3)12-19(23)21-16-8-6-15(20)7-9-16/h5-11,13H,12H2,1-4H3,(H,21,23)
InChIKeySDDWHHCNMQTQMP-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.84
Rot. Bonds7

About N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide

N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 30168365) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
PubChem CID30168365
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-13(2)14-5-10-17(26-4)18(11-14)27(24,25)22(3)12-19(23)21-16-8-6-15(20)7-9-16/h5-11,13H,12H2,1-4H3,(H,21,23)
InChIKeySDDWHHCNMQTQMP-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168353
N-(3-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168363
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30168402
N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168410
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168355
N-(2-fluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168349
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 32941920
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
N-[1-(4-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891536
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 30168528
methyl 4-[[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373356
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide (CID 30168365) is N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide is COc1ccc(C(C)C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is SDDWHHCNMQTQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-13(2)14-5-10-17(26-4)18(11-14)27(24,25)22(3)12-19(23)21-16-8-6-15(20)7-9-16/h5-11,13H,12H2,1-4H3,(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide?
N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 455.37 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 30168365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).