N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide

C24H28F2N2O5S — CID 33081307

IUPACN-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C2CC2)c1
InChIInChI=1S/C24H28F2N2O5S/c1-32-20-6-8-22(33-2)17(13-20)15-28(19-4-5-19)24(29)16-9-11-27(12-10-16)34(30,31)23-14-18(25)3-7-21(23)26/h3,6-8,13-14,16,19H,4-5,9-12,15H2,1-2H3
InChIKeyVOERMHJAMPXKHR-UHFFFAOYSA-N
MW494.56 g/mol
LogP3.57
Rot. Bonds8

About N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide

N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 33081307) has the molecular formula C24H28F2N2O5S and a molecular weight of 494.56 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID33081307
Molecular FormulaC24H28F2N2O5S
Molecular Weight494.56 g/mol
Exact Mass494.17
IUPAC NameN-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C2CC2)c1
InChIInChI=1S/C24H28F2N2O5S/c1-32-20-6-8-22(33-2)17(13-20)15-28(19-4-5-19)24(29)16-9-11-27(12-10-16)34(30,31)23-14-18(25)3-7-21(23)26/h3,6-8,13-14,16,19H,4-5,9-12,15H2,1-2H3
InChIKeyVOERMHJAMPXKHR-UHFFFAOYSA-N
XLogP3.57
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119286963
(6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55554776
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 18118416
1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134058743
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848
9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985463
5-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-methoxybenzamide
CID 112817187
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33078304
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 33081307) is N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(OC)c(CN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VOERMHJAMPXKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O5S/c1-32-20-6-8-22(33-2)17(13-20)15-28(19-4-5-19)24(29)16-9-11-27(12-10-16)34(30,31)23-14-18(25)3-7-21(23)26/h3,6-8,13-14,16,19H,4-5,9-12,15H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 494.56 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 33081307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).