trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide

C18H26N2O4S — CID 8892125

IUPACtrans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C18H26N2O4S/c1-3-24-17-8-7-14(25(22,23)20-9-5-4-6-10-20)12-16(17)19-18(21)15-11-13(15)2/h7-8,12-13,15H,3-6,9-11H2,1-2H3,(H,19,21)/t13-,15-/m1/s1
InChIKeyXSLDWIANDVHDPN-UKRRQHHQSA-N
MW366.48 g/mol
LogP2.85
Rot. Bonds6

About trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 8892125) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID8892125
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nametrans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C18H26N2O4S/c1-3-24-17-8-7-14(25(22,23)20-9-5-4-6-10-20)12-16(17)19-18(21)15-11-13(15)2/h7-8,12-13,15H,3-6,9-11H2,1-2H3,(H,19,21)/t13-,15-/m1/s1
InChIKeyXSLDWIANDVHDPN-UKRRQHHQSA-N
XLogP2.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
cis-(1S,2R)-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 26265477
1-(cyclopropanecarbonyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55630754
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 6492327
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 4797053
(3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942162
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide (CID 8892125) is trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is XSLDWIANDVHDPN-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-3-24-17-8-7-14(25(22,23)20-9-5-4-6-10-20)12-16(17)19-18(21)15-11-13(15)2/h7-8,12-13,15H,3-6,9-11H2,1-2H3,(H,19,21)/t13-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 8892125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).