2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

C27H37N3O8S2 — CID 43874436

IUPAC2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C2CCCCC2)cc1OC
InChIInChI=1S/C27H37N3O8S2/c1-36-25-13-12-24(18-26(25)37-2)40(34,35)30(22-6-4-3-5-7-22)20-27(31)28-19-21-8-10-23(11-9-21)39(32,33)29-14-16-38-17-15-29/h8-13,18,22H,3-7,14-17,19-20H2,1-2H3,(H,28,31)
InChIKeyWNKNCSRXQNJLOM-UHFFFAOYSA-N
MW595.74 g/mol
LogP2.36
Rot. Bonds11

About 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (PubChem CID 43874436) has the molecular formula C27H37N3O8S2 and a molecular weight of 595.74 g/mol. Its IUPAC name is 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
PubChem CID43874436
Molecular FormulaC27H37N3O8S2
Molecular Weight595.74 g/mol
Exact Mass595.20
IUPAC Name2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C2CCCCC2)cc1OC
InChIInChI=1S/C27H37N3O8S2/c1-36-25-13-12-24(18-26(25)37-2)40(34,35)30(22-6-4-3-5-7-22)20-27(31)28-19-21-8-10-23(11-9-21)39(32,33)29-14-16-38-17-15-29/h8-13,18,22H,3-7,14-17,19-20H2,1-2H3,(H,28,31)
InChIKeyWNKNCSRXQNJLOM-UHFFFAOYSA-N
XLogP2.36
TPSA131.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.74
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 4025829
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561285
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126393939
N-[(2-chlorophenyl)methyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126011818
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30273865
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 126010831
2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874647
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126010855
N-cycloheptyl-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788557
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561386
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 126010723

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (CID 43874436) is 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C2CCCCC2)cc1OC.
What is the InChIKey of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is WNKNCSRXQNJLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O8S2/c1-36-25-13-12-24(18-26(25)37-2)40(34,35)30(22-6-4-3-5-7-22)20-27(31)28-19-21-8-10-23(11-9-21)39(32,33)29-14-16-38-17-15-29/h8-13,18,22H,3-7,14-17,19-20H2,1-2H3,(H,28,31).
What are the key properties of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 595.74 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 43874436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).