N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide

C22H25BrN2O4S — CID 1321078

IUPACN-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H25BrN2O4S/c1-16(26)17-6-5-7-19(14-17)24-22(27)15-25(20-8-3-2-4-9-20)30(28,29)21-12-10-18(23)11-13-21/h5-7,10-14,20H,2-4,8-9,15H2,1H3,(H,24,27)
InChIKeyHHKPXJFPPHAPSW-UHFFFAOYSA-N
MW493.42 g/mol
LogP4.61
Rot. Bonds7

About N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide

N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide (PubChem CID 1321078) has the molecular formula C22H25BrN2O4S and a molecular weight of 493.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
PubChem CID1321078
Molecular FormulaC22H25BrN2O4S
Molecular Weight493.42 g/mol
Exact Mass492.07
IUPAC NameN-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H25BrN2O4S/c1-16(26)17-6-5-7-19(14-17)24-22(27)15-25(20-8-3-2-4-9-20)30(28,29)21-12-10-18(23)11-13-21/h5-7,10-14,20H,2-4,8-9,15H2,1H3,(H,24,27)
InChIKeyHHKPXJFPPHAPSW-UHFFFAOYSA-N
XLogP4.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1002076
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
CID 126013240
methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 1169069
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 43871742
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 1342586
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
CID 4207935

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide (CID 1321078) is N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide is CC(=O)c1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide?
The InChIKey is HHKPXJFPPHAPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O4S/c1-16(26)17-6-5-7-19(14-17)24-22(27)15-25(20-8-3-2-4-9-20)30(28,29)21-12-10-18(23)11-13-21/h5-7,10-14,20H,2-4,8-9,15H2,1H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide?
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide has a molecular weight of 493.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide is sourced from PubChem (CID 1321078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).