N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

C23H31N3O3S2 — CID 27375055

IUPACN-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H31N3O3S2/c27-23(24-19-9-5-2-1-3-6-10-19)22-21(13-18-30-22)31(28,29)26-16-14-25(15-17-26)20-11-7-4-8-12-20/h4,7-8,11-13,18-19H,1-3,5-6,9-10,14-17H2,(H,24,27)
InChIKeyKXKGRCFQGDZHTC-UHFFFAOYSA-N
MW461.65 g/mol
LogP4.10
Rot. Bonds5

About N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 27375055) has the molecular formula C23H31N3O3S2 and a molecular weight of 461.65 g/mol. Its IUPAC name is N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID27375055
Molecular FormulaC23H31N3O3S2
Molecular Weight461.65 g/mol
Exact Mass461.18
IUPAC NameN-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H31N3O3S2/c27-23(24-19-9-5-2-1-3-6-10-19)22-21(13-18-30-22)31(28,29)26-16-14-25(15-17-26)20-11-7-4-8-12-20/h4,7-8,11-13,18-19H,1-3,5-6,9-10,14-17H2,(H,24,27)
InChIKeyKXKGRCFQGDZHTC-UHFFFAOYSA-N
XLogP4.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 53076860
N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 51297984
N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
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N-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076832
3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24670564
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 55535803
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CID 53076837
1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea
CID 134115013
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 119455908
N-(3-cyanophenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076838

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (CID 27375055) is N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is O=C(NC1CCCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is KXKGRCFQGDZHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S2/c27-23(24-19-9-5-2-1-3-6-10-19)22-21(13-18-30-22)31(28,29)26-16-14-25(15-17-26)20-11-7-4-8-12-20/h4,7-8,11-13,18-19H,1-3,5-6,9-10,14-17H2,(H,24,27).
What are the key properties of N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 461.65 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 27375055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).