N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C25H24ClN3O4S2 — CID 90865051

IUPACN-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1=CC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ON1
InChIInChI=1S/C25H24ClN3O4S2/c26-21-11-12-22(34-21)35(31,32)29-15-13-25(14-16-29)17-20(28-33-25)24(30)27-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23,28H,13-16H2,(H,27,30)
InChIKeyXEYJHHJGYKKMPT-UHFFFAOYSA-N
MW530.07 g/mol
LogP4.25
Rot. Bonds6

About N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 90865051) has the molecular formula C25H24ClN3O4S2 and a molecular weight of 530.07 g/mol. Its IUPAC name is N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID90865051
Molecular FormulaC25H24ClN3O4S2
Molecular Weight530.07 g/mol
Exact Mass529.09
IUPAC NameN-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1=CC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ON1
InChIInChI=1S/C25H24ClN3O4S2/c26-21-11-12-22(34-21)35(31,32)29-15-13-25(14-16-29)17-20(28-33-25)24(30)27-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23,28H,13-16H2,(H,27,30)
InChIKeyXEYJHHJGYKKMPT-UHFFFAOYSA-N
XLogP4.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.07
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 90865051) is N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1=CC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ON1.
What is the InChIKey of N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is XEYJHHJGYKKMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S2/c26-21-11-12-22(34-21)35(31,32)29-15-13-25(14-16-29)17-20(28-33-25)24(30)27-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23,28H,13-16H2,(H,27,30).
What are the key properties of N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 530.07 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 90865051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).