N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide

C19H29N3O5S — CID 110199802

IUPACN-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(S(C)(=O)=O)CCC(=O)NCC1
InChIInChI=1S/C19H29N3O5S/c1-14-6-7-17(27-2)16(13-14)21-19(24)15-5-4-11-22(28(3,25)26)12-9-18(23)20-10-8-15/h6-7,13,15H,4-5,8-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyFJJZAPAWCUTDNL-UHFFFAOYSA-N
MW411.52 g/mol
LogP1.51
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide

N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide (PubChem CID 110199802) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
PubChem CID110199802
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(S(C)(=O)=O)CCC(=O)NCC1
InChIInChI=1S/C19H29N3O5S/c1-14-6-7-17(27-2)16(13-14)21-19(24)15-5-4-11-22(28(3,25)26)12-9-18(23)20-10-8-15/h6-7,13,15H,4-5,8-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyFJJZAPAWCUTDNL-UHFFFAOYSA-N
XLogP1.51
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168030
(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25469701
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031
(3R)-N-(2-methoxy-5-methylphenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 93053279
(3R)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078448
N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151849
1-methylsulfonyl-4-oxo-N-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199768
1-benzylsulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 50809020
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide (CID 110199802) is N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN(S(C)(=O)=O)CCC(=O)NCC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The InChIKey is FJJZAPAWCUTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-14-6-7-17(27-2)16(13-14)21-19(24)15-5-4-11-22(28(3,25)26)12-9-18(23)20-10-8-15/h6-7,13,15H,4-5,8-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide is sourced from PubChem (CID 110199802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).