N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

C24H32N2O5S — CID 133217613

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(C)C
InChIInChI=1S/C24H32N2O5S/c1-16(2)21-15-22(17(3)14-23(21)30-5)18(4)25-24(27)19-6-8-20(9-7-19)32(28,29)26-10-12-31-13-11-26/h6-9,14-16,18H,10-13H2,1-5H3,(H,25,27)
InChIKeyHFKRPCSUHJAPMW-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.64
Rot. Bonds7

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 133217613) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID133217613
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(C)C
InChIInChI=1S/C24H32N2O5S/c1-16(2)21-15-22(17(3)14-23(21)30-5)18(4)25-24(27)19-6-8-20(9-7-19)32(28,29)26-10-12-31-13-11-26/h6-9,14-16,18H,10-13H2,1-5H3,(H,25,27)
InChIKeyHFKRPCSUHJAPMW-UHFFFAOYSA-N
XLogP3.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 133186522
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8700706
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26883051
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9262400
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680617
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680604
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 133186501
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186397
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9477031
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100679907
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 46820089

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 133217613) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is COc1cc(C)c(C(C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HFKRPCSUHJAPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-16(2)21-15-22(17(3)14-23(21)30-5)18(4)25-24(27)19-6-8-20(9-7-19)32(28,29)26-10-12-31-13-11-26/h6-9,14-16,18H,10-13H2,1-5H3,(H,25,27).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 460.60 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 133217613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).