N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide

C19H27N5O3S — CID 163870506

IUPACN-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide
SMILESCCN/C(=C/NS(=O)(=O)c1ccc(NC(C)=O)cc1)N1CC2(C=N1)CCCC2
InChIInChI=1S/C19H27N5O3S/c1-3-20-18(24-14-19(13-21-24)10-4-5-11-19)12-22-28(26,27)17-8-6-16(7-9-17)23-15(2)25/h6-9,12-13,20,22H,3-5,10-11,14H2,1-2H3,(H,23,25)/b18-12-
InChIKeyPKJOBBWFDPWLJQ-PDGQHHTCSA-N
MW405.52 g/mol
LogP2.19
Rot. Bonds7

About N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide

N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide (PubChem CID 163870506) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide
PubChem CID163870506
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC NameN-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide
SMILESCCN/C(=C/NS(=O)(=O)c1ccc(NC(C)=O)cc1)N1CC2(C=N1)CCCC2
InChIInChI=1S/C19H27N5O3S/c1-3-20-18(24-14-19(13-21-24)10-4-5-11-19)12-22-28(26,27)17-8-6-16(7-9-17)23-15(2)25/h6-9,12-13,20,22H,3-5,10-11,14H2,1-2H3,(H,23,25)/b18-12-
InChIKeyPKJOBBWFDPWLJQ-PDGQHHTCSA-N
XLogP2.19
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide (CID 163870506) is N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide is CCN/C(=C/NS(=O)(=O)c1ccc(NC(C)=O)cc1)N1CC2(C=N1)CCCC2.
What is the InChIKey of N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is PKJOBBWFDPWLJQ-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-3-20-18(24-14-19(13-21-24)10-4-5-11-19)12-22-28(26,27)17-8-6-16(7-9-17)23-15(2)25/h6-9,12-13,20,22H,3-5,10-11,14H2,1-2H3,(H,23,25)/b18-12-.
What are the key properties of N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(Z)-2-(2,3-diazaspiro[4.4]non-3-en-2-yl)-2-(ethylamino)ethenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 163870506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).