N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C27H35N3O6S — CID 3216621

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C27H35N3O6S/c1-20-8-9-21(18-25(20)37(33,34)29-14-16-36-17-15-29)27(32)30(23-10-12-24(35-2)13-11-23)19-26(31)28-22-6-4-3-5-7-22/h8-13,18,22H,3-7,14-17,19H2,1-2H3,(H,28,31)
InChIKeyDEJZMZSQTVUMEF-UHFFFAOYSA-N
MW529.66 g/mol
LogP3.12
Rot. Bonds8

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 3216621) has the molecular formula C27H35N3O6S and a molecular weight of 529.66 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID3216621
Molecular FormulaC27H35N3O6S
Molecular Weight529.66 g/mol
Exact Mass529.22
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C27H35N3O6S/c1-20-8-9-21(18-25(20)37(33,34)29-14-16-36-17-15-29)27(32)30(23-10-12-24(35-2)13-11-23)19-26(31)28-22-6-4-3-5-7-22/h8-13,18,22H,3-7,14-17,19H2,1-2H3,(H,28,31)
InChIKeyDEJZMZSQTVUMEF-UHFFFAOYSA-N
XLogP3.12
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.66
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide with MolForge

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 3213426
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 27173584
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16528945
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
N-(2,5-dimethylphenyl)-N-ethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55592874
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528590
[2-(cyclooctylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4009487
N-(1-benzylpiperidin-4-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24981031
N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 3216621) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DEJZMZSQTVUMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O6S/c1-20-8-9-21(18-25(20)37(33,34)29-14-16-36-17-15-29)27(32)30(23-10-12-24(35-2)13-11-23)19-26(31)28-22-6-4-3-5-7-22/h8-13,18,22H,3-7,14-17,19H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 529.66 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3216621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).