ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate

C26H32N2O7S — CID 100799138

IUPACethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)cc2)CC1
InChIInChI=1S/C26H32N2O7S/c1-4-35-25(30)26(13-14-26)19-5-7-20(8-6-19)27-24(29)18-11-15-28(16-12-18)36(31,32)21-9-10-22(33-2)23(17-21)34-3/h5-10,17-18H,4,11-16H2,1-3H3,(H,27,29)
InChIKeyJZCKBUAGPWXUGR-UHFFFAOYSA-N
MW516.62 g/mol
LogP3.34
Rot. Bonds9

About ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate

ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate (PubChem CID 100799138) has the molecular formula C26H32N2O7S and a molecular weight of 516.62 g/mol. Its IUPAC name is ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
PubChem CID100799138
Molecular FormulaC26H32N2O7S
Molecular Weight516.62 g/mol
Exact Mass516.19
IUPAC Nameethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)cc2)CC1
InChIInChI=1S/C26H32N2O7S/c1-4-35-25(30)26(13-14-26)19-5-7-20(8-6-19)27-24(29)18-11-15-28(16-12-18)36(31,32)21-9-10-22(33-2)23(17-21)34-3/h5-10,17-18H,4,11-16H2,1-3H3,(H,27,29)
InChIKeyJZCKBUAGPWXUGR-UHFFFAOYSA-N
XLogP3.34
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-[4-[[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
CID 100799993
ethyl 1-[4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
CID 100800227
N-(4-acetamidophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2941914
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
1-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 7947516
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 126363125
N-(3,4-difluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549818
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate (CID 100799138) is ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate?
The InChIKey is JZCKBUAGPWXUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O7S/c1-4-35-25(30)26(13-14-26)19-5-7-20(8-6-19)27-24(29)18-11-15-28(16-12-18)36(31,32)21-9-10-22(33-2)23(17-21)34-3/h5-10,17-18H,4,11-16H2,1-3H3,(H,27,29).
What are the key properties of ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate?
ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate has a molecular weight of 516.62 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 100799138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).