(5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide

C24H29NO2S — CID 98140188

IUPAC(5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide
SMILESCOc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N(C)Cc5ccsc5)(C4)C2)C3)cc1
InChIInChI=1S/C24H29NO2S/c1-25(14-17-7-8-28-15-17)22(26)24-12-18-9-19(13-24)11-23(10-18,16-24)20-3-5-21(27-2)6-4-20/h3-8,15,18-19H,9-14,16H2,1-2H3/t18-,19-,23?,24?/m1/s1
InChIKeyIEAVLGJSXTUFKM-UOYQGRGCSA-N
MW395.57 g/mol
LogP5.25
Rot. Bonds5

About (5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide

(5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide (PubChem CID 98140188) has the molecular formula C24H29NO2S and a molecular weight of 395.57 g/mol. Its IUPAC name is (5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide
PubChem CID98140188
Molecular FormulaC24H29NO2S
Molecular Weight395.57 g/mol
Exact Mass395.19
IUPAC Name(5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide
SMILESCOc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N(C)Cc5ccsc5)(C4)C2)C3)cc1
InChIInChI=1S/C24H29NO2S/c1-25(14-17-7-8-28-15-17)22(26)24-12-18-9-19(13-24)11-23(10-18,16-24)20-3-5-21(27-2)6-4-20/h3-8,15,18-19H,9-14,16H2,1-2H3/t18-,19-,23?,24?/m1/s1
InChIKeyIEAVLGJSXTUFKM-UOYQGRGCSA-N
XLogP5.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98079985
(5R,7R)-3-(4-methoxyphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 98138085
N-(2-cyclopropyl-2-oxoethyl)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 127816461
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide
CID 38545209
(5S,7S)-N,N-dimethyl-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98115320
(5S,7R)-3-(4-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]adamantane-1-carboxamide
CID 34835207
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 24536593
N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2835994
2-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]benzoic acid
CID 23735496
2-(4-methoxyphenoxy)ethyl (5S,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 2084263
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 29295661

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of (5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide (CID 98140188) is (5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for (5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for (5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide is COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N(C)Cc5ccsc5)(C4)C2)C3)cc1.
What is the InChIKey of (5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide?
The InChIKey is IEAVLGJSXTUFKM-UOYQGRGCSA-N. The full InChI is InChI=1S/C24H29NO2S/c1-25(14-17-7-8-28-15-17)22(26)24-12-18-9-19(13-24)11-23(10-18,16-24)20-3-5-21(27-2)6-4-20/h3-8,15,18-19H,9-14,16H2,1-2H3/t18-,19-,23?,24?/m1/s1.
What are the key properties of (5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide?
(5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 98140188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).