N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide

C20H33N5O4S — CID 110199949

IUPACN-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)CCNC(=O)CC2)c1
InChIInChI=1S/C20H33N5O4S/c1-24-14-19(22-15-24)30(28,29)25-12-5-6-16(9-11-21-18(26)10-13-25)20(27)23-17-7-3-2-4-8-17/h14-17H,2-13H2,1H3,(H,21,26)(H,23,27)
InChIKeyMBVUSJBMHOTCBI-UHFFFAOYSA-N
MW439.58 g/mol
LogP1.17
Rot. Bonds4

About N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide

N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide (PubChem CID 110199949) has the molecular formula C20H33N5O4S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
PubChem CID110199949
Molecular FormulaC20H33N5O4S
Molecular Weight439.58 g/mol
Exact Mass439.23
IUPAC NameN-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)CCNC(=O)CC2)c1
InChIInChI=1S/C20H33N5O4S/c1-24-14-19(22-15-24)30(28,29)25-12-5-6-16(9-11-21-18(26)10-13-25)20(27)23-17-7-3-2-4-8-17/h14-17H,2-13H2,1H3,(H,21,26)(H,23,27)
InChIKeyMBVUSJBMHOTCBI-UHFFFAOYSA-N
XLogP1.17
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The IUPAC name of N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide (CID 110199949) is N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)CCNC(=O)CC2)c1.
What is the InChIKey of N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The InChIKey is MBVUSJBMHOTCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4S/c1-24-14-19(22-15-24)30(28,29)25-12-5-6-16(9-11-21-18(26)10-13-25)20(27)23-17-7-3-2-4-8-17/h14-17H,2-13H2,1H3,(H,21,26)(H,23,27).
What are the key properties of N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide is sourced from PubChem (CID 110199949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).