(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide

C18H28N2O3S — CID 59860935

IUPAC(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H28N2O3S/c1-12(2)16-9-4-13(3)10-17(16)18(21)20-11-14-5-7-15(8-6-14)24(19,22)23/h5-8,12-13,16-17H,4,9-11H2,1-3H3,(H,20,21)(H2,19,22,23)/t13-,16+,17-/m1/s1
InChIKeyIJOYWDLATXFUAF-XOKHGSTOSA-N
MW352.50 g/mol
LogP2.66
Rot. Bonds5

About (1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide

(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 59860935) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID59860935
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H28N2O3S/c1-12(2)16-9-4-13(3)10-17(16)18(21)20-11-14-5-7-15(8-6-14)24(19,22)23/h5-8,12-13,16-17H,4,9-11H2,1-3H3,(H,20,21)(H2,19,22,23)/t13-,16+,17-/m1/s1
InChIKeyIJOYWDLATXFUAF-XOKHGSTOSA-N
XLogP2.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
(1R,2S,5R)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 164904811
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 164904741
(1R,2S,5R)-5-methyl-N-[[4-(piperazin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylcyclohexane-1-carboxamide;dihydrochloride
CID 164904784
4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 114422610
cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 40606359
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 164904797
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992353

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide (CID 59860935) is (1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is IJOYWDLATXFUAF-XOKHGSTOSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-12(2)16-9-4-13(3)10-17(16)18(21)20-11-14-5-7-15(8-6-14)24(19,22)23/h5-8,12-13,16-17H,4,9-11H2,1-3H3,(H,20,21)(H2,19,22,23)/t13-,16+,17-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide?
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59860935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).