N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide

C21H30N2O3S — CID 89215011

IUPACN-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
SMILESC=C/C=C1/CC(C)C/C1=C/CNC(=O)C1=CCC(NS(=O)(=O)C(C)C)C=C1
InChIInChI=1S/C21H30N2O3S/c1-5-6-18-13-16(4)14-19(18)11-12-22-21(24)17-7-9-20(10-8-17)23-27(25,26)15(2)3/h5-9,11,15-16,20,23H,1,10,12-14H2,2-4H3,(H,22,24)/b18-6-,19-11-
InChIKeyOCDPKBIJJUVDMV-KFDUROGKSA-N
MW390.55 g/mol
LogP3.15
Rot. Bonds7

About N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide

N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 89215011) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
PubChem CID89215011
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC NameN-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
SMILESC=C/C=C1/CC(C)C/C1=C/CNC(=O)C1=CCC(NS(=O)(=O)C(C)C)C=C1
InChIInChI=1S/C21H30N2O3S/c1-5-6-18-13-16(4)14-19(18)11-12-22-21(24)17-7-9-20(10-8-17)23-27(25,26)15(2)3/h5-9,11,15-16,20,23H,1,10,12-14H2,2-4H3,(H,22,24)/b18-6-,19-11-
InChIKeyOCDPKBIJJUVDMV-KFDUROGKSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide (CID 89215011) is N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide is C=C/C=C1/CC(C)C/C1=C/CNC(=O)C1=CCC(NS(=O)(=O)C(C)C)C=C1.
What is the InChIKey of N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is OCDPKBIJJUVDMV-KFDUROGKSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-5-6-18-13-16(4)14-19(18)11-12-22-21(24)17-7-9-20(10-8-17)23-27(25,26)15(2)3/h5-9,11,15-16,20,23H,1,10,12-14H2,2-4H3,(H,22,24)/b18-6-,19-11-.
What are the key properties of N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide?
N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 89215011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).