cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide

C24H30N2O2S2 — CID 124860150

IUPACcis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(N(C)C(=O)[C@H]3C[C@H]3c3ccc(C)s3)CC2)s1
InChIInChI=1S/C24H30N2O2S2/c1-14-4-6-21(29-14)17-12-19(17)23(27)25(3)16-8-10-26(11-9-16)24(28)20-13-18(20)22-7-5-15(2)30-22/h4-7,16-20H,8-13H2,1-3H3/t17-,18-,19+,20+/m1/s1
InChIKeyXSICOPGTPYACDA-ZRNYENFQSA-N
MW442.65 g/mol
LogP4.78
Rot. Bonds5

About cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide

cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 124860150) has the molecular formula C24H30N2O2S2 and a molecular weight of 442.65 g/mol. Its IUPAC name is cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID124860150
Molecular FormulaC24H30N2O2S2
Molecular Weight442.65 g/mol
Exact Mass442.17
IUPAC Namecis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(N(C)C(=O)[C@H]3C[C@H]3c3ccc(C)s3)CC2)s1
InChIInChI=1S/C24H30N2O2S2/c1-14-4-6-21(29-14)17-12-19(17)23(27)25(3)16-8-10-26(11-9-16)24(28)20-13-18(20)22-7-5-15(2)30-22/h4-7,16-20H,8-13H2,1-3H3/t17-,18-,19+,20+/m1/s1
InChIKeyXSICOPGTPYACDA-ZRNYENFQSA-N
XLogP4.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.65
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 124860150) is cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide is Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(N(C)C(=O)[C@H]3C[C@H]3c3ccc(C)s3)CC2)s1.
What is the InChIKey of cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is XSICOPGTPYACDA-ZRNYENFQSA-N. The full InChI is InChI=1S/C24H30N2O2S2/c1-14-4-6-21(29-14)17-12-19(17)23(27)25(3)16-8-10-26(11-9-16)24(28)20-13-18(20)22-7-5-15(2)30-22/h4-7,16-20H,8-13H2,1-3H3/t17-,18-,19+,20+/m1/s1.
What are the key properties of cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide?
cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 442.65 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124860150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).