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

C19H18ClF2N3O4S2 — CID 90851358

IUPAC8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)C1=CC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ON1
InChIInChI=1S/C19H18ClF2N3O4S2/c20-16-3-4-17(30-16)31(27,28)25-7-5-19(6-8-25)10-15(24-29-19)18(26)23-11-12-9-13(21)1-2-14(12)22/h1-4,9-10,24H,5-8,11H2,(H,23,26)
InChIKeyDQDBAMUKDHHXAG-UHFFFAOYSA-N
MW489.95 g/mol
LogP2.94
Rot. Bonds5

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

8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 90851358) has the molecular formula C19H18ClF2N3O4S2 and a molecular weight of 489.95 g/mol. Its IUPAC name is 8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID90851358
Molecular FormulaC19H18ClF2N3O4S2
Molecular Weight489.95 g/mol
Exact Mass489.04
IUPAC Name8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)C1=CC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ON1
InChIInChI=1S/C19H18ClF2N3O4S2/c20-16-3-4-17(30-16)31(27,28)25-7-5-19(6-8-25)10-15(24-29-19)18(26)23-11-12-9-13(21)1-2-14(12)22/h1-4,9-10,24H,5-8,11H2,(H,23,26)
InChIKeyDQDBAMUKDHHXAG-UHFFFAOYSA-N
XLogP2.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.95
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 10141174
8-thiophen-2-ylsulfonyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90786144
N-[(3-chlorophenyl)methyl]-8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90952018
8-(3-chloro-4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91001476
8-(3-chloro-2-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91311789
[8-(5-Chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91348190
N-[(3-fluorophenyl)methyl]-8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91444704
8-(5-fluoro-2-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91514605
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 31378865
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46562864
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55961079
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60469715

Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 90851358) is 8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCc1cc(F)ccc1F)C1=CC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ON1.
What is the InChIKey of 8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is DQDBAMUKDHHXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O4S2/c20-16-3-4-17(30-16)31(27,28)25-7-5-19(6-8-25)10-15(24-29-19)18(26)23-11-12-9-13(21)1-2-14(12)22/h1-4,9-10,24H,5-8,11H2,(H,23,26).
What are the key properties of 8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 489.95 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 90851358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).