N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide

C26H35N3O3S — CID 20968018

IUPACN-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCCCC3)ccc2N2CCCC2)cc1
InChIInChI=1S/C26H35N3O3S/c1-20-11-14-23(15-12-20)33(31,32)28-24-19-21(13-16-25(24)29-17-7-8-18-29)26(30)27-22-9-5-3-2-4-6-10-22/h11-16,19,22,28H,2-10,17-18H2,1H3,(H,27,30)
InChIKeyGVDPGCQUYPABJW-UHFFFAOYSA-N
MW469.65 g/mol
LogP5.24
Rot. Bonds6

About N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide

N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide (PubChem CID 20968018) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
PubChem CID20968018
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCCCC3)ccc2N2CCCC2)cc1
InChIInChI=1S/C26H35N3O3S/c1-20-11-14-23(15-12-20)33(31,32)28-24-19-21(13-16-25(24)29-17-7-8-18-29)26(30)27-22-9-5-3-2-4-6-10-22/h11-16,19,22,28H,2-10,17-18H2,1H3,(H,27,30)
InChIKeyGVDPGCQUYPABJW-UHFFFAOYSA-N
XLogP5.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.65
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 4101718
3-[(4-methylphenyl)sulfonylamino]-4-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid
CID 50767022
3-[(4-methylphenyl)sulfonylamino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 46292342
N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333755
N-butan-2-yl-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 5164711
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 46333749
3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 4170888
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059449
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide (CID 20968018) is N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCCCC3)ccc2N2CCCC2)cc1.
What is the InChIKey of N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is GVDPGCQUYPABJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-20-11-14-23(15-12-20)33(31,32)28-24-19-21(13-16-25(24)29-17-7-8-18-29)26(30)27-22-9-5-3-2-4-6-10-22/h11-16,19,22,28H,2-10,17-18H2,1H3,(H,27,30).
What are the key properties of N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide?
N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 469.65 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 20968018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).