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

C19H31N5O4S — CID 110199974

IUPACN-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)CCNC(=O)CC2)c1
InChIInChI=1S/C19H31N5O4S/c1-23-13-18(21-14-23)29(27,28)24-11-4-5-15(8-10-20-17(25)9-12-24)19(26)22-16-6-2-3-7-16/h13-16H,2-12H2,1H3,(H,20,25)(H,22,26)
InChIKeyPCKZUASUUDZSPO-UHFFFAOYSA-N
MW425.56 g/mol
LogP0.78
Rot. Bonds4

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

N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide (PubChem CID 110199974) has the molecular formula C19H31N5O4S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
PubChem CID110199974
Molecular FormulaC19H31N5O4S
Molecular Weight425.56 g/mol
Exact Mass425.21
IUPAC NameN-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)CCNC(=O)CC2)c1
InChIInChI=1S/C19H31N5O4S/c1-23-13-18(21-14-23)29(27,28)24-11-4-5-15(8-10-20-17(25)9-12-24)19(26)22-16-6-2-3-7-16/h13-16H,2-12H2,1H3,(H,20,25)(H,22,26)
InChIKeyPCKZUASUUDZSPO-UHFFFAOYSA-N
XLogP0.78
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The IUPAC name of N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide (CID 110199974) is N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)CCNC(=O)CC2)c1.
What is the InChIKey of N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The InChIKey is PCKZUASUUDZSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4S/c1-23-13-18(21-14-23)29(27,28)24-11-4-5-15(8-10-20-17(25)9-12-24)19(26)22-16-6-2-3-7-16/h13-16H,2-12H2,1H3,(H,20,25)(H,22,26).
What are the key properties of N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide?
N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide is sourced from PubChem (CID 110199974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).