N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide

C23H28BrClN2O4S — CID 94861484

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Br)cc2)C2CCCCC2)cc1Cl
InChIInChI=1S/C23H28BrClN2O4S/c1-16(17-8-10-18(24)11-9-17)26-23(28)15-27(19-6-4-3-5-7-19)32(29,30)20-12-13-22(31-2)21(25)14-20/h8-14,16,19H,3-7,15H2,1-2H3,(H,26,28)/t16-/m1/s1
InChIKeyMXJUNILKVSAZPQ-MRXNPFEDSA-N
MW543.91 g/mol
LogP5.31
Rot. Bonds8

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide (PubChem CID 94861484) has the molecular formula C23H28BrClN2O4S and a molecular weight of 543.91 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
PubChem CID94861484
Molecular FormulaC23H28BrClN2O4S
Molecular Weight543.91 g/mol
Exact Mass542.06
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Br)cc2)C2CCCCC2)cc1Cl
InChIInChI=1S/C23H28BrClN2O4S/c1-16(17-8-10-18(24)11-9-17)26-23(28)15-27(19-6-4-3-5-7-19)32(29,30)20-12-13-22(31-2)21(25)14-20/h8-14,16,19H,3-7,15H2,1-2H3,(H,26,28)/t16-/m1/s1
InChIKeyMXJUNILKVSAZPQ-MRXNPFEDSA-N
XLogP5.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.91
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543890
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401454
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871818
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 41263670
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 2240865
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43871822
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-cycloheptylacetamide
CID 3917250
N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
CID 100797109
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
CID 3875641
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797119
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide (CID 94861484) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Br)cc2)C2CCCCC2)cc1Cl.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide?
The InChIKey is MXJUNILKVSAZPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28BrClN2O4S/c1-16(17-8-10-18(24)11-9-17)26-23(28)15-27(19-6-4-3-5-7-19)32(29,30)20-12-13-22(31-2)21(25)14-20/h8-14,16,19H,3-7,15H2,1-2H3,(H,26,28)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide has a molecular weight of 543.91 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide is sourced from PubChem (CID 94861484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).