trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide

C18H25ClN2O3S — CID 154864550

IUPACtrans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC1CCCCC1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C18H25ClN2O3S/c1-25(23,24)21-17-9-5-2-6-12(17)11-20-18(22)15-10-14(15)13-7-3-4-8-16(13)19/h3-4,7-8,12,14-15,17,21H,2,5-6,9-11H2,1H3,(H,20,22)/t12?,14-,15+,17?/m0/s1
InChIKeyYINVAJSSMUBSMF-WSYIQSFVSA-N
MW384.93 g/mol
LogP2.67
Rot. Bonds6

About trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide (PubChem CID 154864550) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
PubChem CID154864550
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Nametrans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC1CCCCC1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C18H25ClN2O3S/c1-25(23,24)21-17-9-5-2-6-12(17)11-20-18(22)15-10-14(15)13-7-3-4-8-16(13)19/h3-4,7-8,12,14-15,17,21H,2,5-6,9-11H2,1H3,(H,20,22)/t12?,14-,15+,17?/m0/s1
InChIKeyYINVAJSSMUBSMF-WSYIQSFVSA-N
XLogP2.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide (CID 154864550) is trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide is CS(=O)(=O)NC1CCCCC1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl.
What is the InChIKey of trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is YINVAJSSMUBSMF-WSYIQSFVSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-25(23,24)21-17-9-5-2-6-12(17)11-20-18(22)15-10-14(15)13-7-3-4-8-16(13)19/h3-4,7-8,12,14-15,17,21H,2,5-6,9-11H2,1H3,(H,20,22)/t12?,14-,15+,17?/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 384.93 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 154864550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).